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

Systemtic Name: 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-(4-pyrrolidin-1-ylphenyl)benzamide Openeye Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide CAS Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-[4-(1-pyrrolidinyl)phenyl]benzamide IUPAC Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide Traditional Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-(4-pyrrolidinophenyl)benzamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C22H24N6O2S/c1-27-15-23-26-22(27)31-14-20(29)24-18-6-4-5-16(13-18)21(30)25-17-7-9-19(10-8-17)28-11-2-3-12-28/h4-10,13,15H,2-3,11-12,14H2,1H3,(H,24,29)(H,25,30)