ethyl 2-[(4-methylphenyl)sulfanylmethyl]-5-oxidanyl-4-(1,2,4-triazol-1-ylmethyl)-1H-indole-3-carboxylate

Systemtic Name: ethyl 2-[(4-methylphenyl)sulfanylmethyl]-5-oxidanyl-4-(1,2,4-triazol-1-ylmethyl)-1H-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-(p-tolylsulfanylmethyl)-4-(1,2,4-triazol-1-ylmethyl)-1H-indole-3-carboxylate CAS Name: 5-hydroxy-2-[[(4-methylphenyl)thio]methyl]-4-(1,2,4-triazol-1-ylmethyl)-1H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-4-(1,2,4-triazol-1-ylmethyl)-1H-indole-3-carboxylate Traditional Name: 5-hydroxy-2-[(p-tolylthio)methyl]-4-(1,2,4-triazol-1-ylmethyl)-1H-indole-3-carboxylic acid ethyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C1C(=C(C=C2)O)CN3C=NC=N3)CSC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C1C(=C(C=C2)O)CN3C=NC=N3)CSC4=CC=C(C=C4)C

InChI

InChI=1S/C22H22N4O3S/c1-3-29-22(28)21-18(11-30-15-6-4-14(2)5-7-15)25-17-8-9-19(27)16(20(17)21)10-26-13-23-12-24-26/h4-9,12-13,25,27H,3,10-11H2,1-2H3