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

Systemtic Name: N-cyclopropyl-4-[2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-4-[[2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-4-[[2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-4-[[2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-4-[[2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)NC4CC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)NC4CC4

InChI

InChI=1S/C21H21N5O2S/c1-14-2-10-18(11-3-14)26-13-22-25-21(26)29-12-19(27)23-16-6-4-15(5-7-16)20(28)24-17-8-9-17/h2-7,10-11,13,17H,8-9,12H2,1H3,(H,23,27)(H,24,28)