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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-phenylbutylideneamino]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-phenylbutylideneamino]benzamide CAS Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-[(E)-1-phenylbutylideneamino]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-phenylbutylideneamino]benzamide Traditional Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-[(E)-1-phenylbutylideneamino]benzamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS/c1-3-7-19(17-8-5-4-6-9-17)23-24-20(27)18-12-10-16(11-13-18)14-28-21-25-22-15-26(21)2/h4-6,8-13,15H,3,7,14H2,1-2H3,(H,24,27)/b23-19+