4-[[3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-piperazine-1-carboxamide

Systemtic Name: 4-[[3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-piperazine-1-carboxamide Openeye Name: 4-[[3-(4-chlorophenyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-piperazine-1-carboxamide CAS Name: 4-[[3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-1-piperazinecarboxamide IUPAC Name: 4-[[3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide Traditional Name: 4-[[3-(4-chlorophenyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-piperazine-1-carboxamide Formula: C20H29ClN6OS MolecularWeight: 437.00186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)C(=O)N(CC)CC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)C(=O)N(CC)CC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H29ClN6OS/c1-4-24(5-2)19(28)25-13-11-23(12-14-25)15-27-20(29)26(6-3)18(22-27)16-7-9-17(21)10-8-16/h7-10H,4-6,11-15H2,1-3H3