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

Systemtic Name: N,N-diethyl-4-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxamide Openeye Name: N,N-diethyl-4-[[3-(3-methoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxamide CAS Name: N,N-diethyl-4-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinecarboxamide IUPAC Name: N,N-diethyl-4-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxamide Traditional Name: N,N-diethyl-4-[[3-(3-methoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxamide Formula: C25H32N6O2S MolecularWeight: 480.62558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O2S/c1-4-28(5-2)24(32)29-16-14-27(15-17-29)19-30-25(34)31(21-11-7-6-8-12-21)23(26-30)20-10-9-13-22(18-20)33-3/h6-13,18H,4-5,14-17,19H2,1-3H3