7-chloranyl-3-(2-hydroxyethyl)-5-phenyl-4H-1,3,4-benzotriazepine-2-thione

Systemtic Name: 7-chloranyl-3-(2-hydroxyethyl)-5-phenyl-4H-1,3,4-benzotriazepine-2-thione Openeye Name: 7-chloro-3-(2-hydroxyethyl)-5-phenyl-4H-1,3,4-benzotriazepine-2-thione CAS Name: 7-chloro-3-(2-hydroxyethyl)-5-phenyl-4H-1,3,4-benzotriazepine-2-thione IUPAC Name: 7-chloro-3-(2-hydroxyethyl)-5-phenyl-4H-1,3,4-benzotriazepine-2-thione Traditional Name: 7-chloro-3-(2-hydroxyethyl)-5-phenyl-4H-1,3,4-benzotriazepine-2-thione Formula: C16H14ClN3OS MolecularWeight: 331.81986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=S)N(N2)CCO)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=S)N(N2)CCO)Cl

InChI

InChI=1S/C16H14ClN3OS/c17-12-6-7-14-13(10-12)15(11-4-2-1-3-5-11)19-20(8-9-21)16(22)18-14/h1-7,10,19,21H,8-9H2