1-[(3S,4S)-4-butyl-3-(4-methylphenyl)-2,5-diphenyl-3H-pyrazol-4-yl]benzotriazole

Systemtic Name: 1-[(3S,4S)-4-butyl-3-(4-methylphenyl)-2,5-diphenyl-3H-pyrazol-4-yl]benzotriazole Openeye Name: 1-[(3S,4S)-4-butyl-2,5-diphenyl-3-(p-tolyl)-3H-pyrazol-4-yl]benzotriazole CAS Name: 1-[(3S,4S)-4-butyl-3-(4-methylphenyl)-2,5-diphenyl-3H-pyrazol-4-yl]benzotriazole IUPAC Name: 1-[(3S,4S)-4-butyl-3-(4-methylphenyl)-2,5-diphenyl-3H-pyrazol-4-yl]benzotriazole Traditional Name: 1-[(4S,5S)-4-butyl-1,3-diphenyl-5-(p-tolyl)-2-pyrazolin-4-yl]benzotriazole Formula: C32H31N5 MolecularWeight: 485.62204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)N5C6=CC=CC=C6N=N5

Isomeric SMILES

CCCC[C@@]1([C@@H](N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C32H31N5/c1-3-4-23-32(37-29-18-12-11-17-28(29)33-35-37)30(25-13-7-5-8-14-25)34-36(27-15-9-6-10-16-27)31(32)26-21-19-24(2)20-22-26/h5-22,31H,3-4,23H2,1-2H3/t31-,32+/m0/s1