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

Systemtic Name: 1-[2-(4-azanyl-5-oxidanylidene-3-phenyl-1,2,4-triazol-1-yl)ethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-(4-amino-5-keto-3-phenyl-1,2,4-triazol-1-yl)acetyl]amino]-3-phenyl-thiourea Formula: C17H17N7O2S MolecularWeight: 383.42758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7O2S/c18-24-15(12-7-3-1-4-8-12)22-23(17(24)26)11-14(25)20-21-16(27)19-13-9-5-2-6-10-13/h1-10H,11,18H2,(H,20,25)(H2,19,21,27)