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

Systemtic Name: 1-[2-[4-azanyl-3-(4-methylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-[4-amino-5-oxo-3-(p-tolyl)-1,2,4-triazol-1-yl]acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-[4-amino-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-[4-amino-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-[4-amino-5-keto-3-(p-tolyl)-1,2,4-triazol-1-yl]acetyl]amino]-3-phenyl-thiourea Formula: C18H19N7O2S MolecularWeight: 397.45416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)N2N)CC(=O)NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)N2N)CC(=O)NNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H19N7O2S/c1-12-7-9-13(10-8-12)16-23-24(18(27)25(16)19)11-15(26)21-22-17(28)20-14-5-3-2-4-6-14/h2-10H,11,19H2,1H3,(H,21,26)(H2,20,22,28)