6-methoxy-3-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

Systemtic Name: 6-methoxy-3-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide Openeye Name: 6-methoxy-3-(p-tolylsulfanyl)-N-(3-pyridylmethyl)-1H-indole-2-carboxamide CAS Name: 6-methoxy-3-[(4-methylphenyl)thio]-N-(3-pyridinylmethyl)-1H-indole-2-carboxamide IUPAC Name: 6-methoxy-3-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide Traditional Name: 6-methoxy-3-(p-tolylthio)-N-(3-pyridylmethyl)-1H-indole-2-carboxamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)OC)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)OC)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-15-5-8-18(9-6-15)29-22-19-10-7-17(28-2)12-20(19)26-21(22)23(27)25-14-16-4-3-11-24-13-16/h3-13,26H,14H2,1-2H3,(H,25,27)