4-isothiocyanato-3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazole

Systemtic Name: 4-isothiocyanato-3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazole Openeye Name: 4-isothiocyanato-3,5-dimethyl-1-(1-naphthylmethyl)pyrazole CAS Name: 4-isothiocyanato-3,5-dimethyl-1-(1-naphthalenylmethyl)pyrazole IUPAC Name: 4-isothiocyanato-3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazole Traditional Name: 4-isothiocyanato-3,5-dimethyl-1-(1-naphthylmethyl)pyrazole Formula: C17H15N3S MolecularWeight: 293.3861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)N=C=S

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)N=C=S

InChI

InChI=1S/C17H15N3S/c1-12-17(18-11-21)13(2)20(19-12)10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9H,10H2,1-2H3