(2R)-2-ethanimidoyl-4-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-2-ethanimidoyl-4-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-ethanimidoyl-4-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: (2R)-2-(1-iminoethyl)-4-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: (2R)-2-ethanimidoyl-4-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-3-keto-4-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C(C#N)C(=N)C)C2=CC(=CC=C2)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)[C@@H](C#N)C(=N)C)C2=CC(=CC=C2)C

InChI

InChI=1S/C18H21N5OS/c1-4-8-23-17(14-7-5-6-12(2)9-14)21-22-18(23)25-11-16(24)15(10-19)13(3)20/h5-7,9,15,20H,4,8,11H2,1-3H3/t15-/m0/s1