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

Systemtic Name: N,N-diethyl-4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxamide Openeye Name: N,N-diethyl-4-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxamide CAS Name: N,N-diethyl-4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazinecarboxamide IUPAC Name: N,N-diethyl-4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxamide Traditional Name: N,N-diethyl-4-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazine-1-carboxamide Formula: C19H28N6OS MolecularWeight: 388.53022

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H28N6OS/c1-4-23(5-2)19(26)24-12-10-22(11-13-24)14-25-18(27)20-17(21-25)16-8-6-15(3)7-9-16/h6-9H,4-5,10-14H2,1-3H3,(H,20,21,27)