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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)N)C(=S)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CSC1=NN(C(=N1)N)C(=S)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C12H15N7S3/c1-22-11-15-9(13)19(18-11)12(21)17-16-10(20)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,17,21)(H2,13,15,18)(H2,14,16,20)