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

Systemtic Name: 4-(3,4-dimethylphenyl)-3-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethylphenyl)-3-(1-naphthylmethylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethylphenyl)-3-(1-naphthalenylmethylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethylphenyl)-3-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethylphenyl)-3-(1-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=CC=CC4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5)C

InChI

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