2-[(Z)-3-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-methylphenyl)prop-2-enylidene]propanedinitrile

Systemtic Name: 2-[(Z)-3-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-methylphenyl)prop-2-enylidene]propanedinitrile Openeye Name: 2-[(Z)-3-(1,3-benzoxazol-2-ylsulfanyl)-3-(p-tolyl)prop-2-enylidene]propanedinitrile CAS Name: 2-[(Z)-3-(1,3-benzoxazol-2-ylthio)-3-(4-methylphenyl)prop-2-enylidene]propanedinitrile IUPAC Name: 2-[(Z)-3-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-methylphenyl)prop-2-enylidene]propanedinitrile Traditional Name: 2-[(Z)-3-(1,3-benzoxazol-2-ylthio)-3-(p-tolyl)prop-2-enylidene]malononitrile Formula: C20H13N3OS MolecularWeight: 343.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CC=C(C#N)C#N)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C/C=C(C#N)C#N)/SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H13N3OS/c1-14-6-9-16(10-7-14)19(11-8-15(12-21)13-22)25-20-23-17-4-2-3-5-18(17)24-20/h2-11H,1H3/b19-11-