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

Systemtic Name: 1-[(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)carbothioylamino]-3-phenyl-thiourea Openeye Name: 1-[(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbothioyl)amino]-3-phenyl-thiourea CAS Name: 1-[[[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]amino]-3-phenylthiourea IUPAC Name: 1-[(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbothioyl)amino]-3-phenylthiourea Traditional Name: 1-[[5-amino-3-(methylthio)-1,2,4-triazole-1-carbothioyl]amino]-3-phenyl-thiourea Formula: C11H13N7S3 MolecularWeight: 339.46282

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)N)C(=S)NNC(=S)NC2=CC=CC=C2

Isomeric SMILES

CSC1=NN(C(=N1)N)C(=S)NNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C11H13N7S3/c1-21-10-14-8(12)18(17-10)11(20)16-15-9(19)13-7-5-3-2-4-6-7/h2-6H,1H3,(H,16,20)(H2,12,14,17)(H2,13,15,19)