2-[[3-(4-chloranyl-3-methyl-phenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[3-(4-chloranyl-3-methyl-phenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[3-(4-chloro-3-methyl-phenyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-(4-chloro-3-methylphenyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-(4-chloro-3-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[3-(4-chloro-3-methyl-phenyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C21H14ClN3OS2 MolecularWeight: 423.93836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC=C4C#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC=C4C#N)Cl

InChI

InChI=1S/C21H14ClN3OS2/c1-13-10-16(6-7-17(13)22)25-20(26)19-18(8-9-27-19)24-21(25)28-12-15-5-3-2-4-14(15)11-23/h2-10H,12H2,1H3