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

Systemtic Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(1,3-diphenyl-4-pyrazolyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(1,3-diphenylpyrazol-4-yl)methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C18H16N6S MolecularWeight: 348.42484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NNC(=N3)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NNC(=N3)N)C4=CC=CC=C4

InChI

InChI=1S/C18H16N6S/c19-17-20-18(22-21-17)25-12-14-11-24(15-9-5-2-6-10-15)23-16(14)13-7-3-1-4-8-13/h1-11H,12H2,(H3,19,20,21,22)