(7S)-7-methyl-2-[(1S)-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: (7S)-7-methyl-2-[(1S)-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: (7S)-7-methyl-2-[(1S)-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: (7S)-7-methyl-2-[(1S)-1-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: (7S)-7-methyl-2-[(1S)-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: (7S)-7-methyl-2-[(1S)-1-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C(C)SC4=NN=CN4C5=CC=CC=C5

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)SC4=NN=CN4C5=CC=CC=C5

InChI

InChI=1S/C21H21N5OS2/c1-12-8-9-15-16(10-12)29-20-17(15)19(27)23-18(24-20)13(2)28-21-25-22-11-26(21)14-6-4-3-5-7-14/h3-7,11-13H,8-10H2,1-2H3,(H,23,24,27)/t12-,13-/m0/s1