1,5-dimethyl-2-phenyl-4-[5-(pyridin-2-ylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[5-(pyridin-2-ylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[5-(2-pyridylmethylsulfanyl)tetrazol-1-yl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[5-(2-pyridinylmethylthio)-1-tetrazolyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[5-(2-pyridylmethylthio)tetrazol-1-yl]-3-pyrazolin-3-one Formula: C18H17N7OS MolecularWeight: 379.43888

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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=CC=N4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC4=CC=CC=N4

InChI

InChI=1S/C18H17N7OS/c1-13-16(17(26)25(23(13)2)15-9-4-3-5-10-15)24-18(20-21-22-24)27-12-14-8-6-7-11-19-14/h3-11H,12H2,1-2H3