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

Systemtic Name: [1-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-yl] 3-nitrobenzoate Openeye Name: [1-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-naphthalenyl] ester IUPAC Name: [1-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [1-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-naphthyl] ester Formula: C22H17N5O4S MolecularWeight: 447.46648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=NNC(=S)N1N=CC2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4S/c1-2-20-24-25-22(32)26(20)23-13-18-17-9-4-3-6-14(17)10-11-19(18)31-21(28)15-7-5-8-16(12-15)27(29)30/h3-13H,2H2,1H3,(H,25,32)