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

Systemtic Name: 5-(3,4-diethoxyphenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-7-ethyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-7-ethyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC(=C(C=C4)OCC)OCC

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC(=C(C=C4)OCC)OCC

InChI

InChI=1S/C24H25N3O2S/c1-4-16-9-11-19-18(14-16)23(26-27-24(25-19)22-8-7-13-30-22)17-10-12-20(28-5-2)21(15-17)29-6-3/h7-15,26H,4-6H2,1-3H3