N-(2,6-dimethylheptan-4-ylideneamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(2,6-dimethylheptan-4-ylideneamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: N-[(1-isobutyl-3-methyl-butylidene)amino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: N-(2,6-dimethylheptan-4-ylideneamino)-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-(2,6-dimethylheptan-4-ylideneamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: N-[(1-isobutyl-3-methyl-butylidene)amino]-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5OS/c1-14(2)10-18(11-15(3)4)22-23-19(26)17-8-6-16(7-9-17)12-27-20-24-21-13-25(20)5/h6-9,13-15H,10-12H2,1-5H3,(H,23,26)