[3-methyl-5-(4-methylphenyl)sulfanyl-1-phenyl-pyrazol-4-yl]methylazanium

Systemtic Name: [3-methyl-5-(4-methylphenyl)sulfanyl-1-phenyl-pyrazol-4-yl]methylazanium Openeye Name: [3-methyl-1-phenyl-5-(p-tolylsulfanyl)pyrazol-4-yl]methylammonium CAS Name: [3-methyl-5-[(4-methylphenyl)thio]-1-phenyl-4-pyrazolyl]methylammonium IUPAC Name: [3-methyl-5-(4-methylphenyl)sulfanyl-1-phenylpyrazol-4-yl]methylazanium Traditional Name: [3-methyl-1-phenyl-5-(p-tolylthio)pyrazol-4-yl]methylammonium Formula: C18H20N3S+ MolecularWeight: 310.4365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=NN2C3=CC=CC=C3)C)C[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=NN2C3=CC=CC=C3)C)C[NH3+]

InChI

InChI=1S/C18H19N3S/c1-13-8-10-16(11-9-13)22-18-17(12-19)14(2)20-21(18)15-6-4-3-5-7-15/h3-11H,12,19H2,1-2H3/p+1