4-methyl-3-(naphthalen-1-ylmethylsulfanyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-(naphthalen-1-ylmethylsulfanyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole Openeye Name: 3-(3-isopropoxyphenyl)-4-methyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-methyl-3-(1-naphthalenylmethylthio)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-(naphthalen-1-ylmethylsulfanyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole Traditional Name: 3-(3-isopropoxyphenyl)-4-methyl-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H23N3OS/c1-16(2)27-20-12-7-10-18(14-20)22-24-25-23(26(22)3)28-15-19-11-6-9-17-8-4-5-13-21(17)19/h4-14,16H,15H2,1-3H3