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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)NN=CCCC3=CC=CC=C3

Isomeric SMILES

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)N/N=C/CCC3=CC=CC=C3

InChI

InChI=1S/C20H21N5OS/c1-25-15-22-24-20(25)27-14-17-9-11-18(12-10-17)19(26)23-21-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-13,15H,5,8,14H2,1H3,(H,23,26)/b21-13+