5-(4-butoxyphenyl)-7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-methyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-methyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)C

InChI

InChI=1S/C23H23N3OS/c1-3-4-13-27-18-10-8-17(9-11-18)22-19-15-16(2)7-12-20(19)24-23(26-25-22)21-6-5-14-28-21/h5-12,14-15,25H,3-4,13H2,1-2H3