4,6-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1H-indole-2-carboxamide

Systemtic Name: 4,6-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1H-indole-2-carboxamide Openeye Name: 4,6-dimethyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]-1H-indole-2-carboxamide CAS Name: 4,6-dimethyl-N-[4-(3-pyridinylmethylthio)phenyl]-1H-indole-2-carboxamide IUPAC Name: 4,6-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1H-indole-2-carboxamide Traditional Name: 4,6-dimethyl-N-[4-(3-pyridylmethylthio)phenyl]-1H-indole-2-carboxamide Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)C

InChI

InChI=1S/C23H21N3OS/c1-15-10-16(2)20-12-22(26-21(20)11-15)23(27)25-18-5-7-19(8-6-18)28-14-17-4-3-9-24-13-17/h3-13,26H,14H2,1-2H3,(H,25,27)