(2R)-2-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4H-1,4-benzothiazin-3-one

Systemtic Name: (2R)-2-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4H-1,4-benzothiazin-3-one Openeye Name: (2R)-2-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4H-1,4-benzothiazin-3-one CAS Name: (2R)-2-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4H-1,4-benzothiazin-3-one IUPAC Name: (2R)-2-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4H-1,4-benzothiazin-3-one Traditional Name: (2R)-2-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4H-1,4-benzothiazin-3-one Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C[C@@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4O2S2/c1-24-18(11-17-19(26)21-14-9-5-6-10-16(14)28-17)22-23-20(24)27-12-15(25)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3,(H,21,26)/t17-/m1/s1