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

Systemtic Name: 5-(4-ethoxyphenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-ethoxyphenyl)-7-ethyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-ethoxyphenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-ethoxyphenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethyl-5-p-phenetyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C22H21N3OS/c1-3-15-7-12-19-18(14-15)21(16-8-10-17(11-9-16)26-4-2)24-25-22(23-19)20-6-5-13-27-20/h5-14,24H,3-4H2,1-2H3