3-(4-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(1-naphthylmethylsulfanyl)-4-phenyl-5-(p-tolyl)-1,2,4-triazole CAS Name: 3-(4-methylphenyl)-5-(1-naphthalenylmethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(1-naphthylmethylthio)-4-phenyl-5-(p-tolyl)-1,2,4-triazole Formula: C26H21N3S MolecularWeight: 407.53004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H21N3S/c1-19-14-16-21(17-15-19)25-27-28-26(29(25)23-11-3-2-4-12-23)30-18-22-10-7-9-20-8-5-6-13-24(20)22/h2-17H,18H2,1H3