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

Systemtic Name: 2-(4-fluorophenyl)-8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-fluorophenyl)-8-isopropyl-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(4-fluorophenyl)-8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 2-(4-fluorophenyl)-8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-fluorophenyl)-8-isopropyl-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C21H18FN3S MolecularWeight: 363.451123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3S/c1-13(2)15-7-10-17-18(12-15)24-20(14-5-8-16(22)9-6-14)25-21(23-17)19-4-3-11-26-19/h3-13H,1-2H3,(H,23,24,25)