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

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 4-(3,4-diethoxyphenyl)-2-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(3,4-diethoxyphenyl)-2-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 4-(3,4-diethoxyphenyl)-2-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 4-(3,4-diethoxyphenyl)-2-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC3=CC=CC=C3NC(=N2)C4=CC=CS4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC3=CC=CC=C3NC(=N2)C4=CC=CS4)OCC

InChI

InChI=1S/C22H21N3O2S/c1-3-26-18-12-11-15(14-19(18)27-4-2)21-23-16-8-5-6-9-17(16)24-22(25-21)20-10-7-13-28-20/h5-14H,3-4H2,1-2H3,(H,23,24,25)