8-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-ethyl-2-(4-fluorophenyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-ethyl-2-(4-fluorophenyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C20H16FN3S MolecularWeight: 349.424543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C20H16FN3S/c1-2-13-5-10-16-17(12-13)23-19(14-6-8-15(21)9-7-14)24-20(22-16)18-4-3-11-25-18/h3-12H,2H2,1H3,(H,22,23,24)