4-[5-(4-propoxynaphthalen-1-yl)-4-sulfanyl-1,2,3-triazol-1-yl]benzene-1,3-diol

Systemtic Name: 4-[5-(4-propoxynaphthalen-1-yl)-4-sulfanyl-1,2,3-triazol-1-yl]benzene-1,3-diol Openeye Name: 4-[5-(4-propoxy-1-naphthyl)-4-sulfanyl-triazol-1-yl]benzene-1,3-diol CAS Name: 4-[4-mercapto-5-(4-propoxy-1-naphthalenyl)-1-triazolyl]benzene-1,3-diol IUPAC Name: 4-[5-(4-propoxynaphthalen-1-yl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol Traditional Name: 4-[4-mercapto-5-(4-propoxy-1-naphthyl)triazol-1-yl]resorcinol Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C2=CC=CC=C21)C3=C(N=NN3C4=C(C=C(C=C4)O)O)S

Isomeric SMILES

CCCOC1=CC=C(C2=CC=CC=C21)C3=C(N=NN3C4=C(C=C(C=C4)O)O)S

InChI

InChI=1S/C21H19N3O3S/c1-2-11-27-19-10-8-16(14-5-3-4-6-15(14)19)20-21(28)22-23-24(20)17-9-7-13(25)12-18(17)26/h3-10,12,25-26,28H,2,11H2,1H3