N-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C23H25N5OS2 MolecularWeight: 451.6075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)CCNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)CCNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C23H25N5OS2/c1-16-15-18(17(2)28(16)19-7-4-3-5-8-19)10-12-24-21(29)11-13-27-22(25-26-23(27)30)20-9-6-14-31-20/h3-9,14-15H,10-13H2,1-2H3,(H,24,29)(H,26,30)