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

Systemtic Name: 2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-1-piperazinyl]-N-propylacetamide IUPAC Name: 2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide Traditional Name: 2-[4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazino]-N-propyl-acetamide Formula: C18H26N6OS MolecularWeight: 374.50364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6OS/c1-2-8-19-16(25)13-22-9-11-23(12-10-22)14-24-18(26)20-17(21-24)15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,19,25)(H,20,21,26)