1,5-dimethyl-2-phenyl-4-(5-propan-2-ylsulfanyl-1,2,3,4-tetrazol-1-yl)pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(5-propan-2-ylsulfanyl-1,2,3,4-tetrazol-1-yl)pyrazol-3-one Openeye Name: 4-(5-isopropylsulfanyltetrazol-1-yl)-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[5-(propan-2-ylthio)-1-tetrazolyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-(5-propan-2-ylsulfanyltetrazol-1-yl)pyrazol-3-one Traditional Name: 4-[5-(isopropylthio)tetrazol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C15H18N6OS MolecularWeight: 330.40802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6OS/c1-10(2)23-15-16-17-18-20(15)13-11(3)19(4)21(14(13)22)12-8-6-5-7-9-12/h5-10H,1-4H3