2-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(4-methylanilino)propyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-hydroxy-3-(p-toluidino)propyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC(CSC2=NC3=C(CCCC3)C=C2C#N)O

Isomeric SMILES

CC1=CC=C(C=C1)NCC(CSC2=NC3=C(CCCC3)C=C2C#N)O

InChI

InChI=1S/C20H23N3OS/c1-14-6-8-17(9-7-14)22-12-18(24)13-25-20-16(11-21)10-15-4-2-3-5-19(15)23-20/h6-10,18,22,24H,2-5,12-13H2,1H3