4-[5-(4-chlorophenyl)-3-prop-2-ynylsulfanyl-1H-pyrazol-4-yl]pyridine

Systemtic Name: 4-[5-(4-chlorophenyl)-3-prop-2-ynylsulfanyl-1H-pyrazol-4-yl]pyridine Openeye Name: 4-[5-(4-chlorophenyl)-3-prop-2-ynylsulfanyl-1H-pyrazol-4-yl]pyridine CAS Name: 4-[5-(4-chlorophenyl)-3-(prop-2-ynylthio)-1H-pyrazol-4-yl]pyridine IUPAC Name: 4-[5-(4-chlorophenyl)-3-prop-2-ynylsulfanyl-1H-pyrazol-4-yl]pyridine Traditional Name: 4-[5-(4-chlorophenyl)-3-(propargylthio)-1H-pyrazol-4-yl]pyridine Formula: C17H12ClN3S MolecularWeight: 325.81528

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCSC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClN3S/c1-2-11-22-17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h1,3-10H,11H2,(H,20,21)