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

Systemtic Name: 1-[[5-azanyl-3-(dimethylamino)-1,2,4-triazol-1-yl]carbothioylamino]-3-phenyl-thiourea Openeye Name: 1-[[5-amino-3-(dimethylamino)-1,2,4-triazole-1-carbothioyl]amino]-3-phenyl-thiourea CAS Name: 1-[[[5-amino-3-(dimethylamino)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[5-amino-3-(dimethylamino)-1,2,4-triazole-1-carbothioyl]amino]-3-phenylthiourea Traditional Name: 1-[[5-amino-3-(dimethylamino)-1,2,4-triazole-1-carbothioyl]amino]-3-phenyl-thiourea Formula: C12H16N8S2 MolecularWeight: 336.43904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N8S2/c1-19(2)10-15-9(13)20(18-10)12(22)17-16-11(21)14-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,17,22)(H2,13,15,18)(H2,14,16,21)