5-[(4-dimethylaminophenyl)methylamino]-3-morpholin-4-yl-1,2,4-triazole-1-carbodithioic acid

Systemtic Name: 5-[(4-dimethylaminophenyl)methylamino]-3-morpholin-4-yl-1,2,4-triazole-1-carbodithioic acid Openeye Name: 5-[(4-dimethylaminophenyl)methylamino]-3-morpholino-1,2,4-triazole-1-carbodithioic acid CAS Name: 5-[(4-dimethylaminophenyl)methylamino]-3-(4-morpholinyl)-1,2,4-triazole-1-carbodithioic acid IUPAC Name: 5-[(4-dimethylaminophenyl)methylamino]-3-morpholin-4-yl-1,2,4-triazole-1-carbodithioic acid Traditional Name: 5-[[4-(dimethylamino)benzyl]amino]-3-morpholino-1,2,4-triazole-1-carbodithioic acid Formula: C16H22N6OS2 MolecularWeight: 378.51548

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=S)S)N3CCOCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=S)S)N3CCOCC3

InChI

InChI=1S/C16H22N6OS2/c1-20(2)13-5-3-12(4-6-13)11-17-14-18-15(19-22(14)16(24)25)21-7-9-23-10-8-21/h3-6H,7-11H2,1-2H3,(H,24,25)(H,17,18,19)