1-(1-ethylcyclopropyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylic acid

Systemtic Name: 1-(1-ethylcyclopropyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylic acid Openeye Name: 1-(1-ethylcyclopropyl)-5-hydroxy-2-(phenylsulfanylmethyl)-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylic acid CAS Name: 1-(1-ethylcyclopropyl)-5-hydroxy-2-[(phenylthio)methyl]-4-(1,2,4-triazol-1-ylmethyl)-3-indolecarboxylic acid IUPAC Name: 1-(1-ethylcyclopropyl)-5-hydroxy-2-(phenylsulfanylmethyl)-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylic acid Traditional Name: 1-(1-ethylcyclopropyl)-5-hydroxy-2-[(phenylthio)methyl]-4-(1,2,4-triazol-1-ylmethyl)indole-3-carboxylic acid Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC1)N2C3=C(C(=C(C=C3)O)CN4C=NC=N4)C(=C2CSC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCC1(CC1)N2C3=C(C(=C(C=C3)O)CN4C=NC=N4)C(=C2CSC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C24H24N4O3S/c1-2-24(10-11-24)28-18-8-9-20(29)17(12-27-15-25-14-26-27)21(18)22(23(30)31)19(28)13-32-16-6-4-3-5-7-16/h3-9,14-15,29H,2,10-13H2,1H3,(H,30,31)