1,5-dimethyl-2-phenyl-4-[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]pyrazol-3-one Openeye Name: 4-[5-[(4-isopropylphenyl)methylsulfanyl]tetrazol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[5-[(4-propan-2-ylphenyl)methylthio]-1-tetrazolyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[5-[(4-propan-2-ylphenyl)methylsulfanyl]tetrazol-1-yl]pyrazol-3-one Traditional Name: 4-[5-[(4-isopropylbenzyl)thio]tetrazol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C22H24N6OS/c1-15(2)18-12-10-17(11-13-18)14-30-22-23-24-25-27(22)20-16(3)26(4)28(21(20)29)19-8-6-5-7-9-19/h5-13,15H,14H2,1-4H3