4-[5-(7-propoxynaphthalen-1-yl)-4-sulfanyl-1,2,3-triazol-1-yl]benzene-1,3-diol

Systemtic Name: 4-[5-(7-propoxynaphthalen-1-yl)-4-sulfanyl-1,2,3-triazol-1-yl]benzene-1,3-diol Openeye Name: 4-[5-(7-propoxy-1-naphthyl)-4-sulfanyl-triazol-1-yl]benzene-1,3-diol CAS Name: 4-[4-mercapto-5-(7-propoxy-1-naphthalenyl)-1-triazolyl]benzene-1,3-diol IUPAC Name: 4-[5-(7-propoxynaphthalen-1-yl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol Traditional Name: 4-[4-mercapto-5-(7-propoxy-1-naphthyl)triazol-1-yl]resorcinol Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=CC=C2C3=C(N=NN3C4=C(C=C(C=C4)O)O)S)C=C1

Isomeric SMILES

CCCOC1=CC2=C(C=CC=C2C3=C(N=NN3C4=C(C=C(C=C4)O)O)S)C=C1

InChI

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