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

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(5-propylsulfanyl-1,2,3,4-tetrazol-1-yl)pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(5-propylsulfanyltetrazol-1-yl)pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[5-(propylthio)-1-tetrazolyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-(5-propylsulfanyltetrazol-1-yl)pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[5-(propylthio)tetrazol-1-yl]-3-pyrazolin-3-one Formula: C15H18N6OS MolecularWeight: 330.40802

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=NN1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCSC1=NN=NN1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C15H18N6OS/c1-4-10-23-15-16-17-18-20(15)13-11(2)19(3)21(14(13)22)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3