(2S)-2-ethanimidoyl-4-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: (2S)-4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C16H17N5OS/c1-11(18)14(8-17)15(22)10-23-16-20-19-12(2)21(16)9-13-6-4-3-5-7-13/h3-7,14,18H,9-10H2,1-2H3/t14-/m1/s1