3-[2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[[2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[[2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[[2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-pyrrolidino-benzamide Formula: C23H26N6O2S MolecularWeight: 450.55654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4

Isomeric SMILES

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4

InChI

InChI=1S/C23H26N6O2S/c1-2-16-7-3-4-8-19(16)29-15-25-27-23(29)32-14-21(30)26-18-13-17(22(24)31)9-10-20(18)28-11-5-6-12-28/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H2,24,31)(H,26,30)