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

Systemtic Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(1-phenyl-4-pyrazolyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(1-phenylpyrazol-4-yl)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=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

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