4-[[4-(2,6-diethylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[[4-(2,6-diethylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[[4-(2,6-diethylphenyl)-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[[4-(2,6-diethylphenyl)-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[[4-(2,6-diethylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[[4-(2,6-diethylphenyl)-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C25H33N7OS MolecularWeight: 479.64082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCN(CC3)C(=O)N(C)C)C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCN(CC3)C(=O)N(C)C)C4=CN=CC=C4

InChI

InChI=1S/C25H33N7OS/c1-5-19-9-7-10-20(6-2)22(19)32-23(21-11-8-12-26-17-21)27-31(25(32)34)18-29-13-15-30(16-14-29)24(33)28(3)4/h7-12,17H,5-6,13-16,18H2,1-4H3