1-[(4-methoxyphenyl)methyl]-5H-[1,2,3]triazolo[4,5-b][1,5]benzothiazepin-4-one

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-5H-[1,2,3]triazolo[4,5-b][1,5]benzothiazepin-4-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-b][1,5]benzothiazepin-4-one CAS Name: 1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-b][1,5]benzothiazepin-4-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-5H-triazolo[4,5-b][1,5]benzothiazepin-4-one Traditional Name: 1-p-anisyl-5H-triazolo[4,5-b][1,5]benzothiazepin-4-one Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C(=O)NC4=CC=CC=C4S3)N=N2

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C(=O)NC4=CC=CC=C4S3)N=N2

InChI

InChI=1S/C17H14N4O2S/c1-23-12-8-6-11(7-9-12)10-21-17-15(19-20-21)16(22)18-13-4-2-3-5-14(13)24-17/h2-9H,10H2,1H3,(H,18,22)