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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C

InChI

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