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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(Z)-1-phenylpentylideneamino]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(Z)-1-phenylpentylideneamino]benzamide CAS Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-[(Z)-1-phenylpentylideneamino]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(Z)-1-phenylpentylideneamino]benzamide Traditional Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-[(Z)-1-phenylpentylideneamino]benzamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-3-4-10-20(18-8-6-5-7-9-18)24-25-21(28)19-13-11-17(12-14-19)15-29-22-26-23-16-27(22)2/h5-9,11-14,16H,3-4,10,15H2,1-2H3,(H,25,28)/b24-20-