2-[[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[3-(3-chloro-4-methyl-phenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetonitrile IUPAC Name: 2-[[3-(3-chloro-4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[3-(3-chloro-4-methyl-phenyl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C19H16ClN3OS2 MolecularWeight: 401.93284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(N=C2SCC#N)SC4=C3CCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(N=C2SCC#N)SC4=C3CCCC4)Cl

InChI

InChI=1S/C19H16ClN3OS2/c1-11-6-7-12(10-14(11)20)23-18(24)16-13-4-2-3-5-15(13)26-17(16)22-19(23)25-9-8-21/h6-7,10H,2-5,9H2,1H3