2-[2-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)phenoxy]-5-methyl-phenol

Systemtic Name: 2-[2-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)phenoxy]-5-methyl-phenol Openeye Name: 2-[2-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)phenoxy]-5-methyl-phenol CAS Name: 2-[2-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]phenoxy]-5-methylphenol IUPAC Name: 2-[2-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)phenoxy]-5-methylphenol Traditional Name: 2-[2-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]phenoxy]-5-methyl-phenol Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC=CC=C2N3C(=NC(=N3)SC)N)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC=CC=C2N3C(=NC(=N3)SC)N)O

InChI

InChI=1S/C16H16N4O2S/c1-10-7-8-14(12(21)9-10)22-13-6-4-3-5-11(13)20-15(17)18-16(19-20)23-2/h3-9,21H,1-2H3,(H2,17,18,19)