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

Systemtic Name: 7-fluoranyl-5-(4-propoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-fluoro-5-(4-propoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-5-(4-propoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-5-(4-propoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-5-(4-propoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C21H18FN3OS MolecularWeight: 379.450523

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3OS/c1-2-11-26-16-8-5-14(6-9-16)20-17-13-15(22)7-10-18(17)23-21(25-24-20)19-4-3-12-27-19/h3-10,12-13,24H,2,11H2,1H3