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

Systemtic Name: 1-[2-(4-azanyl-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)ethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-(4-amino-5-keto-3-methyl-1,2,4-triazol-1-yl)acetyl]amino]-3-phenyl-thiourea Formula: C12H15N7O2S MolecularWeight: 321.3582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1N)CC(=O)NNC(=S)NC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)N1N)CC(=O)NNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C12H15N7O2S/c1-8-17-18(12(21)19(8)13)7-10(20)15-16-11(22)14-9-5-3-2-4-6-9/h2-6H,7,13H2,1H3,(H,15,20)(H2,14,16,22)