2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(6-pyrrolidino-3-pyridyl)methyl]acetamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCC3=CN=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCC3=CN=C(C=C3)N4CCCC4

InChI

InChI=1S/C21H24N6OS/c1-15-5-4-6-17(11-15)20-24-25-21(29)27(20)14-19(28)23-13-16-7-8-18(22-12-16)26-9-2-3-10-26/h4-8,11-12H,2-3,9-10,13-14H2,1H3,(H,23,28)(H,25,29)