S-(1-phenyl-1,2,3,4-tetrazol-5-yl) 3-[(4-chlorophenyl)amino]-3-oxidanylidene-propanethioate

Systemtic Name: S-(1-phenyl-1,2,3,4-tetrazol-5-yl) 3-[(4-chlorophenyl)amino]-3-oxidanylidene-propanethioate Openeye Name: S-(1-phenyltetrazol-5-yl) 3-(4-chloroanilino)-3-oxo-propanethioate CAS Name: 3-(4-chloroanilino)-3-oxopropanethioic acid S-(1-phenyl-5-tetrazolyl) ester IUPAC Name: S-(1-phenyltetrazol-5-yl) 3-(4-chloroanilino)-3-oxopropanethioate Traditional Name: 3-(4-chloroanilino)-3-keto-propanethioic acid S-(1-phenyltetrazol-5-yl) ester Formula: C16H12ClN5O2S MolecularWeight: 373.81678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC(=O)CC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC(=O)CC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN5O2S/c17-11-6-8-12(9-7-11)18-14(23)10-15(24)25-16-19-20-21-22(16)13-4-2-1-3-5-13/h1-9H,10H2,(H,18,23)