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

Systemtic Name: N,N-dimethyl-4-[[4-(phenylmethyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxamide Openeye Name: 4-[[4-benzyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: N,N-dimethyl-4-[[4-(phenylmethyl)-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-[(4-benzyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[[4-benzyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C22H27N7OS MolecularWeight: 437.56108

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N7OS/c1-25(2)21(30)27-13-11-26(12-14-27)17-29-22(31)28(16-18-7-4-3-5-8-18)20(24-29)19-9-6-10-23-15-19/h3-10,15H,11-14,16-17H2,1-2H3