4-(benzotriazol-1-ylmethyl)-9-methyl-3,5-dihydro-2H-1,4-benzothiazepine

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-9-methyl-3,5-dihydro-2H-1,4-benzothiazepine Openeye Name: 4-(benzotriazol-1-ylmethyl)-9-methyl-3,5-dihydro-2H-1,4-benzothiazepine CAS Name: 4-(1-benzotriazolylmethyl)-9-methyl-3,5-dihydro-2H-1,4-benzothiazepine IUPAC Name: 4-(benzotriazol-1-ylmethyl)-9-methyl-3,5-dihydro-2H-1,4-benzothiazepine Traditional Name: 4-(benzotriazol-1-ylmethyl)-9-methyl-3,5-dihydro-2H-1,4-benzothiazepine Formula: C17H18N4S MolecularWeight: 310.41662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SCCN(C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=CC2=C1SCCN(C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H18N4S/c1-13-5-4-6-14-11-20(9-10-22-17(13)14)12-21-16-8-3-2-7-15(16)18-19-21/h2-8H,9-12H2,1H3