2-(4-ethoxyphenyl)-8-methoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(4-ethoxyphenyl)-8-methoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-ethoxyphenyl)-8-methoxy-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(4-ethoxyphenyl)-8-methoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 2-(4-ethoxyphenyl)-8-methoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-methoxy-2-p-phenetyl-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=CS4

InChI

InChI=1S/C21H19N3O2S/c1-3-26-15-8-6-14(7-9-15)20-23-18-13-16(25-2)10-11-17(18)22-21(24-20)19-5-4-12-27-19/h4-13H,3H2,1-2H3,(H,22,23,24)