2-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazinyl]-N-propylacetamide IUPAC Name: 2-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-N-propylacetamide Traditional Name: 2-[4-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazino]-N-propyl-acetamide Formula: C20H30N6OS MolecularWeight: 402.5568

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)CC

InChI

InChI=1S/C20H30N6OS/c1-3-9-21-18(27)14-24-10-12-25(13-11-24)15-26-20(28)22-19(23-26)17-7-5-16(4-2)6-8-17/h5-8H,3-4,9-15H2,1-2H3,(H,21,27)(H,22,23,28)