benzene; (2Z)-2-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanenitrile

Systemtic Name: benzene; (2Z)-2-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanenitrile Openeye Name: benzene; (2Z)-2-[4-(4-ethoxyphenyl)-3-phenyl-thiazol-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile CAS Name: benzene; (2Z)-2-[4-(4-ethoxyphenyl)-3-phenyl-2-thiazolylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile IUPAC Name: benzene; (2Z)-2-[4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile Traditional Name: benzene; (2Z)-2-(3-phenyl-4-p-phenetyl-4-thiazolin-2-ylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)acetonitrile Formula: C32H31N5OS MolecularWeight: 533.68644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C(C#N)C3=NN=C4N3CCCCC4)N2C5=CC=CC=C5.C1=CC=CC=C1

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CS/C(=C(/C#N)\C3=NN=C4N3CCCCC4)/N2C5=CC=CC=C5.C1=CC=CC=C1

InChI

InChI=1S/C26H25N5OS.C6H6/c1-2-32-21-14-12-19(13-15-21)23-18-33-26(31(23)20-9-5-3-6-10-20)22(17-27)25-29-28-24-11-7-4-8-16-30(24)25;1-2-4-6-5-3-1/h3,5-6,9-10,12-15,18H,2,4,7-8,11,16H2,1H3;1-6H/b26-22-;