9-methoxy-6-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-1,3,6-benzotriazocine-2-thione

Systemtic Name: 9-methoxy-6-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-1,3,6-benzotriazocine-2-thione Openeye Name: 9-methoxy-6-(p-tolylsulfonyl)-1,3,4,5-tetrahydro-1,3,6-benzotriazocine-2-thione CAS Name: 9-methoxy-6-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-1,3,6-benzotriazocine-2-thione IUPAC Name: 9-methoxy-6-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-1,3,6-benzotriazocine-2-thione Traditional Name: 9-methoxy-6-tosyl-1,3,4,5-tetrahydro-1,3,6-benzotriazocine-2-thione Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=S)NC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=S)NC3=C2C=CC(=C3)OC

InChI

InChI=1S/C17H19N3O3S2/c1-12-3-6-14(7-4-12)25(21,22)20-10-9-18-17(24)19-15-11-13(23-2)5-8-16(15)20/h3-8,11H,9-10H2,1-2H3,(H2,18,19,24)