3-[(1-phenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(1-phenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(1-phenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(1-phenyl-4-pyrazolyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(1-phenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(1-phenylpyrazol-4-yl)methylthio]-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=C(C=C1)N2C=C(C=N2)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CSC3=NNC(=N3)N

InChI

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