3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]-1H-1,2,4-triazol-5-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSC2=NNC(=O)N2CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSC2=NNC(=O)N2CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H25N3O2S/c1-15(2)19-10-9-18(13-16(19)3)26-11-12-27-21-23-22-20(25)24(21)14-17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,25)