1-[[5-azanyl-3-(dimethylamino)-1,2,4-triazol-1-yl]carbothioylamino]-1-methyl-3-phenyl-thiourea

Systemtic Name: 1-[[5-azanyl-3-(dimethylamino)-1,2,4-triazol-1-yl]carbothioylamino]-1-methyl-3-phenyl-thiourea Openeye Name: 1-[[5-amino-3-(dimethylamino)-1,2,4-triazole-1-carbothioyl]amino]-1-methyl-3-phenyl-thiourea CAS Name: 1-[[[5-amino-3-(dimethylamino)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]amino]-1-methyl-3-phenylthiourea IUPAC Name: 1-[[5-amino-3-(dimethylamino)-1,2,4-triazole-1-carbothioyl]amino]-1-methyl-3-phenylthiourea Traditional Name: 1-[[5-amino-3-(dimethylamino)-1,2,4-triazole-1-carbothioyl]amino]-1-methyl-3-phenyl-thiourea Formula: C13H18N8S2 MolecularWeight: 350.46562

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NN(C(=N1)N)C(=S)NN(C)C(=S)NC2=CC=CC=C2

Isomeric SMILES

CN(C)C1=NN(C(=N1)N)C(=S)NN(C)C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C13H18N8S2/c1-19(2)11-16-10(14)21(17-11)13(23)18-20(3)12(22)15-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,15,22)(H,18,23)(H2,14,16,17)