7-ethoxy-5-[4-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-ethoxy-5-[4-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethoxy-5-(4-isobutoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethoxy-5-[4-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethoxy-5-[4-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethoxy-5-(4-isobutoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O2S/c1-4-28-19-11-12-21-20(14-19)23(26-27-24(25-21)22-6-5-13-30-22)17-7-9-18(10-8-17)29-15-16(2)3/h5-14,16,26H,4,15H2,1-3H3