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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(2,5-dimethylbenzyl)thio]-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c1-14(2)17-7-9-19(10-8-17)26-12-20-23-24-21(25(20)22)27-13-18-11-15(3)5-6-16(18)4/h5-11,14H,12-13,22H2,1-4H3