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

Systemtic Name: 1-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4-phenyl-phthalazine Openeye Name: 1-[(1-butyltetrazol-5-yl)methylsulfanyl]-4-phenyl-phthalazine CAS Name: 1-[(1-butyl-5-tetrazolyl)methylthio]-4-phenylphthalazine IUPAC Name: 1-[(1-butyltetrazol-5-yl)methylsulfanyl]-4-phenylphthalazine Traditional Name: 1-[(1-butyltetrazol-5-yl)methylthio]-4-phenyl-phthalazine Formula: C20H20N6S MolecularWeight: 376.478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6S/c1-2-3-13-26-18(21-24-25-26)14-27-20-17-12-8-7-11-16(17)19(22-23-20)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3