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

Systemtic Name: 2-(4-butoxyphenyl)-8-methoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-butoxyphenyl)-8-methoxy-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(4-butoxyphenyl)-8-methoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 2-(4-butoxyphenyl)-8-methoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-butoxyphenyl)-8-methoxy-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=CS4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=CS4

InChI

InChI=1S/C23H23N3O2S/c1-3-4-13-28-17-9-7-16(8-10-17)22-25-20-15-18(27-2)11-12-19(20)24-23(26-22)21-6-5-14-29-21/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26)