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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NC1=CC=CC=C1)NC(=S)N2C(=NC(=N2)SC)N

Isomeric SMILES

CN(C(=S)NC1=CC=CC=C1)NC(=S)N2C(=NC(=N2)SC)N

InChI

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