2-azanyl-4-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[3-[(1,3-benzoxazol-2-ylthio)methyl]-2,5-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,5-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[3-[(1,3-benzoxazol-2-ylthio)methyl]-2,5-dimethyl-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)C)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)C)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H23N3O3S/c1-14-10-16(13-33-26-29-19-6-3-4-8-21(19)32-26)15(2)17(11-14)23-18(12-27)25(28)31-22-9-5-7-20(30)24(22)23/h3-4,6,8,10-11,23H,5,7,9,13,28H2,1-2H3