3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-(1H-benzimidazol-2-ylmethylthio)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C19H20N6OS/c1-12-7-13(2)9-14(8-12)26-10-18-23-24-19(25(18)20)27-11-17-21-15-5-3-4-6-16(15)22-17/h3-9H,10-11,20H2,1-2H3,(H,21,22)