[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester IUPAC Name: [4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NNC(=S)N1/N=C\C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O4S/c1-2-16-20-21-18(28)22(16)19-11-12-6-8-15(9-7-12)27-17(24)13-4-3-5-14(10-13)23(25)26/h3-11H,2H2,1H3,(H,21,28)/b19-11-