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

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

C1=CC=C(C=C1)CC2=NN(C(=O)N2N)CC(=O)NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=O)N2N)CC(=O)NNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H19N7O2S/c19-25-15(11-13-7-3-1-4-8-13)23-24(18(25)27)12-16(26)21-22-17(28)20-14-9-5-2-6-10-14/h1-10H,11-12,19H2,(H,21,26)(H2,20,22,28)