4-[(Z)-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]benzoate

Systemtic Name: 4-[(Z)-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: 4-[(Z)-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 4-[(Z)-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 4-[(Z)-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C18H15N4O2S- MolecularWeight: 351.4023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CC2=CC=C(C=C2)C(=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1/N=C\C2=CC=C(C=C2)C(=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C18H16N4O2S/c1-13-20-21-18(25-12-15-5-3-2-4-6-15)22(13)19-11-14-7-9-16(10-8-14)17(23)24/h2-11H,12H2,1H3,(H,23,24)/p-1/b19-11-