2-[2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-cyclopentyl-benzamide

Systemtic Name: 2-[2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-cyclopentyl-benzamide Openeye Name: 2-[[2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopentyl-benzamide CAS Name: 2-[[2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-cyclopentylbenzamide IUPAC Name: 2-[[2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopentylbenzamide Traditional Name: 2-[[2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-cyclopentyl-benzamide Formula: C23H26N6O2S MolecularWeight: 450.55654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

InChI

InChI=1S/C23H26N6O2S/c1-15-10-12-16(13-11-15)21-27-28-23(29(21)24)32-14-20(30)26-19-9-5-4-8-18(19)22(31)25-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14,24H2,1H3,(H,25,31)(H,26,30)