2-(4-chlorophenyl)-8-ethoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(4-chlorophenyl)-8-ethoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-chlorophenyl)-8-ethoxy-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(4-chlorophenyl)-8-ethoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 2-(4-chlorophenyl)-8-ethoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-chlorophenyl)-8-ethoxy-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C20H16ClN3OS/c1-2-25-15-9-10-16-17(12-15)23-19(13-5-7-14(21)8-6-13)24-20(22-16)18-4-3-11-26-18/h3-12H,2H2,1H3,(H,22,23,24)