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

Systemtic Name: [4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester IUPAC Name: [4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester Formula: C19H15N5O4S MolecularWeight: 409.4185

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2N=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NNC(=S)N2/N=C\C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4S/c25-18(14-2-1-3-15(10-14)24(26)27)28-16-8-4-12(5-9-16)11-20-23-17(13-6-7-13)21-22-19(23)29/h1-5,8-11,13H,6-7H2,(H,22,29)/b20-11-