5-(3-chlorophenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(3-chlorophenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-(3-chlorophenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(3-chlorophenyl)-3-(prop-2-ynylthio)-1H-1,2,4-triazole IUPAC Name: 5-(3-chlorophenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(3-chlorophenyl)-3-(propargylthio)-1H-1,2,4-triazole Formula: C11H8ClN3S MolecularWeight: 249.71932

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NNC(=N1)C2=CC(=CC=C2)Cl

Isomeric SMILES

C#CCSC1=NNC(=N1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C11H8ClN3S/c1-2-6-16-11-13-10(14-15-11)8-4-3-5-9(12)7-8/h1,3-5,7H,6H2,(H,13,14,15)