3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3-propoxyphenyl)sulfanyl-1H-indole

Systemtic Name: 3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3-propoxyphenyl)sulfanyl-1H-indole Openeye Name: 3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3-propoxyphenyl)sulfanyl-1H-indole CAS Name: 3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-[(3-propoxyphenyl)thio]-1H-indole IUPAC Name: 3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-(3-propoxyphenyl)sulfanyl-1H-indole Traditional Name: 3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-[(3-propoxyphenyl)thio]-1H-indole Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC(=C4)OCCC

Isomeric SMILES

CCCCN1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC(=C4)OCCC

InChI

InChI=1S/C26H32N2OS/c1-3-5-13-28-14-11-20(12-15-28)25-19-27-26-10-9-23(18-24(25)26)30-22-8-6-7-21(17-22)29-16-4-2/h6-11,17-19,27H,3-5,12-16H2,1-2H3