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

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(3-methyl-4-pyrrolidino-phenyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C20H23N5OS2/c1-14-13-15(6-7-16(14)24-9-2-3-10-24)21-18(26)8-11-25-19(22-23-20(25)27)17-5-4-12-28-17/h4-7,12-13H,2-3,8-11H2,1H3,(H,21,26)(H,23,27)