phenyl 5-azanyl-3-(phenylmethylsulfanyl)-1,2,4-triazole-1-carboxylate

Systemtic Name: phenyl 5-azanyl-3-(phenylmethylsulfanyl)-1,2,4-triazole-1-carboxylate Openeye Name: phenyl 5-amino-3-benzylsulfanyl-1,2,4-triazole-1-carboxylate CAS Name: 5-amino-3-(phenylmethylthio)-1,2,4-triazole-1-carboxylic acid phenyl ester IUPAC Name: phenyl 5-amino-3-benzylsulfanyl-1,2,4-triazole-1-carboxylate Traditional Name: 5-amino-3-(benzylthio)-1,2,4-triazole-1-carboxylic acid phenyl ester Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=N2)N)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=N2)N)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H14N4O2S/c17-14-18-15(23-11-12-7-3-1-4-8-12)19-20(14)16(21)22-13-9-5-2-6-10-13/h1-10H,11H2,(H2,17,18,19)