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

Systemtic Name: 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[4-(1-pyrazolyl)phenyl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(4-pyrazol-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=CN(N=C1)C2=CC=C(C=C2)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CSC3=NNC(=N3)N

InChI

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