(2S)-2-ethanimidoyl-4-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[1-(m-tolyl)benzimidazol-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[1-(3-methylphenyl)-2-benzimidazolyl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[[1-(m-tolyl)benzimidazol-2-yl]thio]butyronitrile Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C20H18N4OS/c1-13-6-5-7-15(10-13)24-18-9-4-3-8-17(18)23-20(24)26-12-19(25)16(11-21)14(2)22/h3-10,16,22H,12H2,1-2H3/t16-/m1/s1