4-[(E)-2-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethenyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-2-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethenyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]vinyl]benzonitrile CAS Name: 4-[(E)-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethenyl]benzonitrile IUPAC Name: 4-[(E)-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethenyl]benzonitrile Traditional Name: 4-[(E)-2-[(7S)-4-keto-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]vinyl]benzonitrile Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C=CC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)/C=C/C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H17N3OS/c1-12-2-8-15-16(10-12)25-20-18(15)19(24)22-17(23-20)9-7-13-3-5-14(11-21)6-4-13/h3-7,9,12H,2,8,10H2,1H3,(H,22,23,24)/b9-7+/t12-/m0/s1