(2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-3-oxobutanenitrile IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: (2E)-4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)C(=C2NC3=CC=CC=C3N2C)C#N

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N

InChI

InChI=1S/C18H18N6OS/c1-4-9-24-12(2)21-22-18(24)26-11-16(25)13(10-19)17-20-14-7-5-6-8-15(14)23(17)3/h4-8,20H,1,9,11H2,2-3H3/b17-13+