2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCC3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCC3)C4=CC=NC=C4

InChI

InChI=1S/C20H22N6OS/c1-25-19(15-8-10-21-11-9-15)23-24-20(25)28-14-18(27)22-16-4-6-17(7-5-16)26-12-2-3-13-26/h4-11H,2-3,12-14H2,1H3,(H,22,27)