5-(3-chlorophenyl)-7-ethoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3-chlorophenyl)-7-ethoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3-chlorophenyl)-7-ethoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3-chlorophenyl)-7-ethoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3-chlorophenyl)-7-ethoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3-chlorophenyl)-7-ethoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC(=CC=C4)Cl

InChI

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