3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(1,3-diphenyl-4-pyrazolyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(1,3-diphenylpyrazol-4-yl)methylthio]-1,2,4-triazole Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C=NN=C1SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5S/c1-2-13-25-16-22-23-21(25)27-15-18-14-26(19-11-7-4-8-12-19)24-20(18)17-9-5-3-6-10-17/h2-12,14,16H,1,13,15H2