3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(3-isopropoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3,4-dichlorobenzyl)thio]-5-(3-isopropoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C18H18Cl2N4OS MolecularWeight: 409.33272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H18Cl2N4OS/c1-11(2)25-14-5-3-4-13(9-14)17-22-23-18(24(17)21)26-10-12-6-7-15(19)16(20)8-12/h3-9,11H,10,21H2,1-2H3