2-[(Z)-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]benzoate

Systemtic Name: 2-[(Z)-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: 2-[(Z)-(3-benzylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 2-[(Z)-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 2-[(Z)-(3-benzylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 2-[(Z)-[3-(benzylthio)-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C17H13N4O2S- MolecularWeight: 337.37572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=CN2N=CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=CN2/N=C\C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H14N4O2S/c22-16(23)15-9-5-4-8-14(15)10-19-21-12-18-20-17(21)24-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,22,23)/p-1/b19-10-