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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-dimethoxyphenyl)-7-ethyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-dimethoxyphenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-dimethoxyphenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-dimethoxyphenyl)-7-ethyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C22H21N3O2S MolecularWeight: 391.48604

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-4-14-7-9-17-16(12-14)21(15-8-10-18(26-2)19(13-15)27-3)24-25-22(23-17)20-6-5-11-28-20/h5-13,24H,4H2,1-3H3