3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=C(C=C3)N4CCCC4)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=C(C=C3)N4CCCC4)C

InChI

InChI=1S/C23H27N5OS/c1-16-6-5-7-18(14-16)22-25-26-23(30)28(22)13-10-21(29)24-20-9-8-19(15-17(20)2)27-11-3-4-12-27/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,29)(H,26,30)