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

Systemtic Name: N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(4-phenyl-1-piperazinyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(4-phenylpiperazino)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H26N6OS2 MolecularWeight: 442.60074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N6OS2/c28-19(8-10-27-20(23-24-21(27)29)18-7-4-16-30-18)22-9-11-25-12-14-26(15-13-25)17-5-2-1-3-6-17/h1-7,16H,8-15H2,(H,22,28)(H,24,29)