3-(4-methoxyphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-propan-2-yl-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

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