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

Systemtic Name: 2-(4-ethoxyphenyl)-8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-ethoxyphenyl)-8-isopropyl-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(4-ethoxyphenyl)-8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 2-(4-ethoxyphenyl)-8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-isopropyl-2-p-phenetyl-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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