3-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[4-(1-imidazolyl)phenyl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(4-imidazol-1-ylbenzyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C12H12N6S MolecularWeight: 272.32888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NNC(=N2)N)N3C=CN=C3

Isomeric SMILES

C1=CC(=CC=C1CSC2=NNC(=N2)N)N3C=CN=C3

InChI

InChI=1S/C12H12N6S/c13-11-15-12(17-16-11)19-7-9-1-3-10(4-2-9)18-6-5-14-8-18/h1-6,8H,7H2,(H3,13,15,16,17)