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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C

Isomeric SMILES

CCCCCCCCCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C

InChI

InChI=1S/C21H31N5O2S/c1-3-4-5-6-7-8-9-13-22-20(28)17-11-10-12-18(14-17)24-19(27)15-29-21-25-23-16-26(21)2/h10-12,14,16H,3-9,13,15H2,1-2H3,(H,22,28)(H,24,27)