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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-phenylpropylideneamino]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-phenylpropylideneamino]benzamide CAS Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-[(E)-1-phenylpropylideneamino]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-phenylpropylideneamino]benzamide Traditional Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-[(E)-1-phenylpropylideneamino]benzamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c1-3-18(16-7-5-4-6-8-16)22-23-19(26)17-11-9-15(10-12-17)13-27-20-24-21-14-25(20)2/h4-12,14H,3,13H2,1-2H3,(H,23,26)/b22-18+