5-(4-chlorophenyl)-3-(pyridin-3-ylmethyl)-4H-1,3,4-benzotriazepine-2-thione hydrochloride

Systemtic Name: 5-(4-chlorophenyl)-3-(pyridin-3-ylmethyl)-4H-1,3,4-benzotriazepine-2-thione hydrochloride Openeye Name: 5-(4-chlorophenyl)-3-(3-pyridylmethyl)-4H-1,3,4-benzotriazepine-2-thione hydrochloride CAS Name: 5-(4-chlorophenyl)-3-(3-pyridinylmethyl)-4H-1,3,4-benzotriazepine-2-thione hydrochloride IUPAC Name: 5-(4-chlorophenyl)-3-(pyridin-3-ylmethyl)-4H-1,3,4-benzotriazepine-2-thione hydrochloride Traditional Name: 5-(4-chlorophenyl)-3-(3-pyridylmethyl)-4H-1,3,4-benzotriazepine-2-thione hydrochloride Formula: C20H16Cl2N4S MolecularWeight: 415.33884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NN(C(=S)N=C2C=C1)CC3=CN=CC=C3)C4=CC=C(C=C4)Cl.Cl

Isomeric SMILES

C1=CC2=C(NN(C(=S)N=C2C=C1)CC3=CN=CC=C3)C4=CC=C(C=C4)Cl.Cl

InChI

InChI=1S/C20H15ClN4S.ClH/c21-16-9-7-15(8-10-16)19-17-5-1-2-6-18(17)23-20(26)25(24-19)13-14-4-3-11-22-12-14;/h1-12,24H,13H2;1H