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

Systemtic Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-amine CAS Name: 3-[(1,3-diphenyl-4-pyrazolyl)methylthio]-5-(2-furanyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(1,3-diphenylpyrazol-4-yl)methylthio]-5-(2-furyl)-1,2,4-triazol-4-yl]amine Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NN=C(N3N)C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NN=C(N3N)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C22H18N6OS/c23-28-21(19-12-7-13-29-19)24-25-22(28)30-15-17-14-27(18-10-5-2-6-11-18)26-20(17)16-8-3-1-4-9-16/h1-14H,15,23H2