2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)ethanenitrile

Systemtic Name: 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)ethanenitrile Openeye Name: 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)acetonitrile CAS Name: 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]acetonitrile IUPAC Name: 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)acetonitrile Traditional Name: 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)acetonitrile Formula: C19H19N5OS2 MolecularWeight: 397.51706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C(C#N)C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)S1)C

Isomeric SMILES

CC1=C(SC(=C(C#N)C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4)S1)C

InChI

InChI=1S/C19H19N5OS2/c1-13-14(2)27-18(26-13)16(12-20)17-21-22-19(23-8-10-25-11-9-23)24(17)15-6-4-3-5-7-15/h3-7H,8-11H2,1-2H3