5-chloranyl-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 5-chloranyl-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-chloro-N-(3-methylolbenzyl)-3-(phenylthio)-1H-indole-2-carboxamide Formula: C23H19ClN2O2S MolecularWeight: 422.92716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC(=CC=C4)CO

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC(=CC=C4)CO

InChI

InChI=1S/C23H19ClN2O2S/c24-17-9-10-20-19(12-17)22(29-18-7-2-1-3-8-18)21(26-20)23(28)25-13-15-5-4-6-16(11-15)14-27/h1-12,26-27H,13-14H2,(H,25,28)