(7S)-7-methyl-3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,2,3]triazin-4-one

Systemtic Name: (7S)-7-methyl-3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,2,3]triazin-4-one Openeye Name: (7S)-7-methyl-3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-4-one CAS Name: (7S)-7-methyl-3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one IUPAC Name: (7S)-7-methyl-3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one Traditional Name: (7S)-7-methyl-3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-4-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)N(N=N3)CCCCOC4=CC=CC=C4C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)N(N=N3)CCCCOC4=CC=CC=C4C

InChI

InChI=1S/C21H25N3O2S/c1-14-9-10-16-18(13-14)27-20-19(16)21(25)24(23-22-20)11-5-6-12-26-17-8-4-3-7-15(17)2/h3-4,7-8,14H,5-6,9-13H2,1-2H3/t14-/m0/s1