N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-[4-(1-pyrazolyl)phenyl]ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C20H20N6OS2 MolecularWeight: 424.5424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CCNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CCNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C20H20N6OS2/c27-18(9-13-25-19(23-24-20(25)28)17-3-1-14-29-17)21-11-8-15-4-6-16(7-5-15)26-12-2-10-22-26/h1-7,10,12,14H,8-9,11,13H2,(H,21,27)(H,24,28)