3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-[4-(2-pyrazinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-1-(4-pyrazin-2-ylpiperazino)propan-1-one Formula: C23H28ClN7OS MolecularWeight: 486.03272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CCC(=O)N2CCN(CC2)C3=NC=CN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCN1C(=NN(C1=S)CCC(=O)N2CCN(CC2)C3=NC=CN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H28ClN7OS/c1-2-3-11-30-22(18-4-6-19(24)7-5-18)27-31(23(30)33)12-8-21(32)29-15-13-28(14-16-29)20-17-25-9-10-26-20/h4-7,9-10,17H,2-3,8,11-16H2,1H3