3-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]-1-phenethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C27H29N3OS MolecularWeight: 443.60366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC(=C3CCCCC3=C2C#N)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC(=C3CCCCC3=C2C#N)CCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3OS/c1-18-15-23(19(2)30(18)3)26(31)17-32-27-24(16-28)21-11-7-8-12-22(21)25(29-27)14-13-20-9-5-4-6-10-20/h4-6,9-10,15H,7-8,11-14,17H2,1-3H3