N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylsulfanyl-propanamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylsulfanyl-propanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2-pyridylsulfanyl)propanamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-pyridinylthio)propanamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylsulfanylpropanamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2-pyridylthio)propionamide Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=CC=N3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=CC=N3

InChI

InChI=1S/C18H19N3OS2/c1-12-5-6-13-14(11-19)18(24-15(13)10-12)21-16(22)7-9-23-17-4-2-3-8-20-17/h2-4,8,12H,5-7,9-10H2,1H3,(H,21,22)