2-(3,4-diethoxyphenyl)-8-ethyl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OCC)OCC)C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OCC)OCC)C4=CC=CS4

InChI

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