7-chloranyl-5-(3,4-diethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-chloranyl-5-(3,4-diethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)Cl)OCC

InChI

InChI=1S/C22H20ClN3O2S/c1-3-27-18-10-7-14(12-19(18)28-4-2)21-16-13-15(23)8-9-17(16)24-22(26-25-21)20-6-5-11-29-20/h5-13,25H,3-4H2,1-2H3