4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-(4-pyridyl)ethylideneamino]benzamide CAS Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide Traditional Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-[(E)-1-(4-pyridyl)ethylideneamino]benzamide Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)C3=CC=NC=C3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)/C3=CC=NC=C3

InChI

InChI=1S/C18H18N6OS/c1-13(15-7-9-19-10-8-15)21-22-17(25)16-5-3-14(4-6-16)11-26-18-23-20-12-24(18)2/h3-10,12H,11H2,1-2H3,(H,22,25)/b21-13+