[3-(4-cyclohexyl-1-ethanoyl-5-sulfanylidene-1,2,4-triazol-3-yl)naphthalen-2-yl] ethanoate

Systemtic Name: [3-(4-cyclohexyl-1-ethanoyl-5-sulfanylidene-1,2,4-triazol-3-yl)naphthalen-2-yl] ethanoate Openeye Name: [3-(1-acetyl-4-cyclohexyl-5-thioxo-1,2,4-triazol-3-yl)-2-naphthyl] acetate CAS Name: acetic acid [3-(1-acetyl-4-cyclohexyl-5-sulfanylidene-1,2,4-triazol-3-yl)-2-naphthalenyl] ester IUPAC Name: [3-(1-acetyl-4-cyclohexyl-5-sulfanylidene-1,2,4-triazol-3-yl)naphthalen-2-yl] acetate Traditional Name: acetic acid [3-(1-acetyl-4-cyclohexyl-5-thioxo-1,2,4-triazol-3-yl)-2-naphthyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=S)N(C(=N1)C2=CC3=CC=CC=C3C=C2OC(=O)C)C4CCCCC4

Isomeric SMILES

CC(=O)N1C(=S)N(C(=N1)C2=CC3=CC=CC=C3C=C2OC(=O)C)C4CCCCC4

InChI

InChI=1S/C22H23N3O3S/c1-14(26)25-22(29)24(18-10-4-3-5-11-18)21(23-25)19-12-16-8-6-7-9-17(16)13-20(19)28-15(2)27/h6-9,12-13,18H,3-5,10-11H2,1-2H3