5-(4-ethoxyphenyl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-ethoxyphenyl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-ethoxyphenyl)-7-isopropyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-ethoxyphenyl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-ethoxyphenyl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-isopropyl-5-p-phenetyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)C(C)C

InChI

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