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

Systemtic Name: 2-nitro-4-[(Z)-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]phenolate Openeye Name: 4-[(Z)-(3-benzylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]-2-nitro-phenolate CAS Name: 2-nitro-4-[(Z)-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]iminomethyl]phenolate IUPAC Name: 4-[(Z)-(3-benzylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[3-(benzylthio)-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate Formula: C16H12N5O3S- MolecularWeight: 354.36318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=CN2N=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O3S/c22-15-7-6-13(8-14(15)21(23)24)9-18-20-11-17-19-16(20)25-10-12-4-2-1-3-5-12/h1-9,11,22H,10H2/p-1/b18-9-