3-methyl-4H-1,3,4-benzotriazepine-2-thione

Systemtic Name: 3-methyl-4H-1,3,4-benzotriazepine-2-thione Openeye Name: 3-methyl-4H-1,3,4-benzotriazepine-2-thione CAS Name: 3-methyl-4H-1,3,4-benzotriazepine-2-thione IUPAC Name: 3-methyl-4H-1,3,4-benzotriazepine-2-thione Traditional Name: 3-methyl-4H-1,3,4-benzotriazepine-2-thione Formula: C9H9N3S MolecularWeight: 191.25286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N=C2C=CC=CC2=CN1

Isomeric SMILES

CN1C(=S)N=C2C=CC=CC2=CN1

InChI

InChI=1S/C9H9N3S/c1-12-9(13)11-8-5-3-2-4-7(8)6-10-12/h2-6,10H,1H3