1-[(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)carbothioyl-methyl-amino]-3-phenyl-thiourea

Systemtic Name: 1-[(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)carbothioyl-methyl-amino]-3-phenyl-thiourea Openeye Name: 1-[(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbothioyl)-methyl-amino]-3-phenyl-thiourea CAS Name: 1-[[[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]-methylamino]-3-phenylthiourea IUPAC Name: 1-[(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbothioyl)-methylamino]-3-phenylthiourea Traditional Name: 1-[[5-amino-3-(methylthio)-1,2,4-triazole-1-carbothioyl]-methyl-amino]-3-phenyl-thiourea Formula: C12H15N7S3 MolecularWeight: 353.4894

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)N1C(=NC(=N1)SC)N)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CN(C(=S)N1C(=NC(=N1)SC)N)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C12H15N7S3/c1-18(12(21)19-9(13)15-11(17-19)22-2)16-10(20)14-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,13,15,17)(H2,14,16,20)