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

Systemtic Name: 3-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-pyrrolidino-benzamide Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4

InChI

InChI=1S/C22H24N6O3S/c1-31-17-7-5-16(6-8-17)28-14-24-26-22(28)32-13-20(29)25-18-12-15(21(23)30)4-9-19(18)27-10-2-3-11-27/h4-9,12,14H,2-3,10-11,13H2,1H3,(H2,23,30)(H,25,29)