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

Systemtic Name: 4-[5-(1-propan-2-ylindol-4-yl)-4-sulfanyl-1,2,3-triazol-1-yl]benzene-1,3-diol Openeye Name: 4-[5-(1-isopropylindol-4-yl)-4-sulfanyl-triazol-1-yl]benzene-1,3-diol CAS Name: 4-[4-mercapto-5-(1-propan-2-yl-4-indolyl)-1-triazolyl]benzene-1,3-diol IUPAC Name: 4-[5-(1-propan-2-ylindol-4-yl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol Traditional Name: 4-[5-(1-isopropylindol-4-yl)-4-mercapto-triazol-1-yl]resorcinol Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC2=C(C=CC=C21)C3=C(N=NN3C4=C(C=C(C=C4)O)O)S

Isomeric SMILES

CC(C)N1C=CC2=C(C=CC=C21)C3=C(N=NN3C4=C(C=C(C=C4)O)O)S

InChI

InChI=1S/C19H18N4O2S/c1-11(2)22-9-8-13-14(4-3-5-15(13)22)18-19(26)20-21-23(18)16-7-6-12(24)10-17(16)25/h3-11,24-26H,1-2H3