5-(4-butoxyphenyl)-2-(3-chloranyl-6-methyl-1-benzothiophen-2-yl)-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-2-(3-chloranyl-6-methyl-1-benzothiophen-2-yl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(3-chloro-6-methyl-benzothiophen-2-yl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-(3-chloro-6-methyl-1-benzothiophen-2-yl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-(3-chloro-6-methyl-1-benzothiophen-2-yl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(3-chloro-6-methyl-benzothiophen-2-yl)-4H-1,3,4-benzotriazepine Formula: C27H24ClN3OS MolecularWeight: 474.01696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=C(C5=C(S4)C=C(C=C5)C)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=C(C5=C(S4)C=C(C=C5)C)Cl

InChI

InChI=1S/C27H24ClN3OS/c1-3-4-15-32-19-12-10-18(11-13-19)25-20-7-5-6-8-22(20)29-27(31-30-25)26-24(28)21-14-9-17(2)16-23(21)33-26/h5-14,16,30H,3-4,15H2,1-2H3