4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3-keto-butyronitrile Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H17N5OS/c1-14(23)17(12-22)18(27)13-28-21-24-19(15-8-4-2-5-9-15)20(25-26-21)16-10-6-3-7-11-16/h2-11,17,23H,13H2,1H3