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

Systemtic Name: 3,4-bis(4-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(1-naphthylmethylsulfanyl)-4,5-bis(p-tolyl)-1,2,4-triazole CAS Name: 3,4-bis(4-methylphenyl)-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 3,4-bis(4-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(1-naphthylmethylthio)-4,5-bis(p-tolyl)-1,2,4-triazole Formula: C27H23N3S MolecularWeight: 421.55662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3S/c1-19-10-14-22(15-11-19)26-28-29-27(30(26)24-16-12-20(2)13-17-24)31-18-23-8-5-7-21-6-3-4-9-25(21)23/h3-17H,18H2,1-2H3