7-chloranyl-3-[3-(diethylamino)propyl]-5-phenyl-4H-1,3,4-benzotriazepine-2-thione

Systemtic Name: 7-chloranyl-3-[3-(diethylamino)propyl]-5-phenyl-4H-1,3,4-benzotriazepine-2-thione Openeye Name: 7-chloro-3-[3-(diethylamino)propyl]-5-phenyl-4H-1,3,4-benzotriazepine-2-thione CAS Name: 7-chloro-3-[3-(diethylamino)propyl]-5-phenyl-4H-1,3,4-benzotriazepine-2-thione IUPAC Name: 7-chloro-3-[3-(diethylamino)propyl]-5-phenyl-4H-1,3,4-benzotriazepine-2-thione Traditional Name: 7-chloro-3-[3-(diethylamino)propyl]-5-phenyl-4H-1,3,4-benzotriazepine-2-thione Formula: C21H25ClN4S MolecularWeight: 400.968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C(=S)N=C2C=CC(=CC2=C(N1)C3=CC=CC=C3)Cl

Isomeric SMILES

CCN(CC)CCCN1C(=S)N=C2C=CC(=CC2=C(N1)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4S/c1-3-25(4-2)13-8-14-26-21(27)23-19-12-11-17(22)15-18(19)20(24-26)16-9-6-5-7-10-16/h5-7,9-12,15,24H,3-4,8,13-14H2,1-2H3