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

Systemtic Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C23H23N3O3S MolecularWeight: 421.51202

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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)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S/c1-4-28-19-11-8-15(13-20(19)29-5-2)22-17-14-16(27-3)9-10-18(17)24-23(26-25-22)21-7-6-12-30-21/h6-14,25H,4-5H2,1-3H3