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

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

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C)CC2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C)CC2=CC=CC=C2

InChI

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