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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide Openeye Name: N-[(Z)-(1-methyl-3-phenyl-propylidene)amino]-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)-4-phenylbutan-2-ylideneamino]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide Traditional Name: N-[(Z)-(1-methyl-3-phenyl-propylidene)amino]-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)CCC3=CC=CC=C3

Isomeric SMILES

C/C(=N/NC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)/CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N5OS/c1-16(8-9-17-6-4-3-5-7-17)23-24-20(27)19-12-10-18(11-13-19)14-28-21-25-22-15-26(21)2/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,24,27)/b23-16-