1-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine

Systemtic Name: 1-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine Openeye Name: 1-[(1-butyltetrazol-5-yl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine CAS Name: 1-[(1-butyl-5-tetrazolyl)methylthio]-4-(4-fluorophenyl)phthalazine IUPAC Name: 1-[(1-butyltetrazol-5-yl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine Traditional Name: 1-[(1-butyltetrazol-5-yl)methylthio]-4-(4-fluorophenyl)phthalazine Formula: C20H19FN6S MolecularWeight: 394.468463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H19FN6S/c1-2-3-12-27-18(22-25-26-27)13-28-20-17-7-5-4-6-16(17)19(23-24-20)14-8-10-15(21)11-9-14/h4-11H,2-3,12-13H2,1H3