4,4,6-trimethyl-1-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-diazinane-2-thione

Systemtic Name: 4,4,6-trimethyl-1-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-diazinane-2-thione Openeye Name: 4,4,6-trimethyl-1-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]hexahydropyrimidine-2-thione CAS Name: 4,4,6-trimethyl-1-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-diazinane-2-thione IUPAC Name: 4,4,6-trimethyl-1-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-diazinane-2-thione Traditional Name: 4,4,6-trimethyl-1-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]hexahydropyrimidine-2-thione Formula: C16H21N5S2 MolecularWeight: 347.50144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CC2=NNC(=S)N2C3=CC=CC=C3)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CC2=NNC(=S)N2C3=CC=CC=C3)(C)C

InChI

InChI=1S/C16H21N5S2/c1-11-9-16(2,3)17-14(22)20(11)10-13-18-19-15(23)21(13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,22)(H,19,23)