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

Systemtic Name: N,N-diethyl-4-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxamide Openeye Name: 4-[[4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-piperazine-1-carboxamide CAS Name: N,N-diethyl-4-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-[(4-benzyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-N,N-diethylpiperazine-1-carboxamide Traditional Name: 4-[[4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-piperazine-1-carboxamide Formula: C23H30N6OS2 MolecularWeight: 470.6539

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N6OS2/c1-3-26(4-2)22(30)27-14-12-25(13-15-27)18-29-23(31)28(17-19-9-6-5-7-10-19)21(24-29)20-11-8-16-32-20/h5-11,16H,3-4,12-15,17-18H2,1-2H3