4-[5-[(1-phenylpyrazol-4-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[(1-phenylpyrazol-4-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-allyl-5-[(1-phenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(1-phenyl-4-pyrazolyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(1-phenylpyrazol-4-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-allyl-5-[(1-phenylpyrazol-4-yl)methylthio]-1,2,4-triazol-3-yl]pyridine Formula: C20H18N6S MolecularWeight: 374.46212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CN(N=C2)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CN(N=C2)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C20H18N6S/c1-2-12-25-19(17-8-10-21-11-9-17)23-24-20(25)27-15-16-13-22-26(14-16)18-6-4-3-5-7-18/h2-11,13-14H,1,12,15H2