N-(7-methyloctyl)-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-(7-methyloctyl)-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(7-methyloctyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-(7-methyloctyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(7-methyloctyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-(7-methyloctyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C

Isomeric SMILES

CC(C)CCCCCCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C

InChI

InChI=1S/C21H31N5O2S/c1-16(2)9-6-4-5-7-12-22-20(28)17-10-8-11-18(13-17)24-19(27)14-29-21-25-23-15-26(21)3/h8,10-11,13,15-16H,4-7,9,12,14H2,1-3H3,(H,22,28)(H,24,27)