3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-isopropylphenoxy)methyl]-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(2-methoxy-5-methylphenyl)methylthio]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-isopropylphenoxy)methyl]-5-[(2-methoxy-5-methyl-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)COC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2N)COC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H26N4O2S/c1-14(2)16-6-8-18(9-7-16)27-12-20-23-24-21(25(20)22)28-13-17-11-15(3)5-10-19(17)26-4/h5-11,14H,12-13,22H2,1-4H3