5-(3-methyl-1-phenyl-5-prop-2-enylsulfanyl-pyrazol-4-yl)-3-phenyl-2H-1,2,3,4-tetrazol-3-ium

Systemtic Name: 5-(3-methyl-1-phenyl-5-prop-2-enylsulfanyl-pyrazol-4-yl)-3-phenyl-2H-1,2,3,4-tetrazol-3-ium Openeye Name: 5-(5-allylsulfanyl-3-methyl-1-phenyl-pyrazol-4-yl)-3-phenyl-2H-tetrazol-3-ium CAS Name: 5-[3-methyl-1-phenyl-5-(prop-2-enylthio)-4-pyrazolyl]-3-phenyl-2H-tetrazol-3-ium IUPAC Name: 5-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)-3-phenyl-2H-tetrazol-3-ium Traditional Name: 5-[5-(allylthio)-3-methyl-1-phenyl-pyrazol-4-yl]-3-phenyl-2H-tetrazol-3-ium Formula: C20H19N6S+ MolecularWeight: 375.47006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=NN[N+](=N2)C3=CC=CC=C3)SCC=C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C2=NN[N+](=N2)C3=CC=CC=C3)SCC=C)C4=CC=CC=C4

InChI

InChI=1S/C20H18N6S/c1-3-14-27-20-18(15(2)22-25(20)16-10-6-4-7-11-16)19-21-24-26(23-19)17-12-8-5-9-13-17/h3-13H,1,14H2,2H3/p+1