[5-azanyl-3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl] thiocyanate

Systemtic Name: [5-azanyl-3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl] thiocyanate Openeye Name: [5-amino-1-benzyl-3-(p-tolyl)pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [5-amino-3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl] ester IUPAC Name: [5-amino-1-benzyl-3-(4-methylphenyl)pyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [5-amino-1-benzyl-3-(p-tolyl)pyrazol-4-yl] ester Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2SC#N)N)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2SC#N)N)CC3=CC=CC=C3

InChI

InChI=1S/C18H16N4S/c1-13-7-9-15(10-8-13)16-17(23-12-19)18(20)22(21-16)11-14-5-3-2-4-6-14/h2-10H,11,20H2,1H3