4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(Z)-pentan-2-ylideneamino]benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(Z)-pentan-2-ylideneamino]benzamide Openeye Name: N-[(Z)-1-methylbutylideneamino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-[(Z)-pentan-2-ylideneamino]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(Z)-pentan-2-ylideneamino]benzamide Traditional Name: N-[(Z)-1-methylbutylideneamino]-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)C

Isomeric SMILES

CCC/C(=N\NC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)/C

InChI

InChI=1S/C16H21N5OS/c1-4-5-12(2)18-19-15(22)14-8-6-13(7-9-14)10-23-16-20-17-11-21(16)3/h6-9,11H,4-5,10H2,1-3H3,(H,19,22)/b18-12-