7-methoxy-5-(4-propoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OC

InChI

InChI=1S/C22H21N3O2S/c1-3-12-27-16-8-6-15(7-9-16)21-18-14-17(26-2)10-11-19(18)23-22(25-24-21)20-5-4-13-28-20/h4-11,13-14,24H,3,12H2,1-2H3