(2-chloranylpyridin-3-yl)-(3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanone

Systemtic Name: (2-chloranylpyridin-3-yl)-(3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanone Openeye Name: (2-chloro-3-pyridyl)-(3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanone CAS Name: (2-chloro-3-pyridinyl)-[3-phenyl-5-(prop-2-ynylthio)-1,2,4-triazol-4-yl]methanone IUPAC Name: (2-chloropyridin-3-yl)-(3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanone Traditional Name: (2-chloro-3-pyridyl)-[3-phenyl-5-(propargylthio)-1,2,4-triazol-4-yl]methanone Formula: C17H11ClN4OS MolecularWeight: 354.81344

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NN=C(N1C(=O)C2=C(N=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

C#CCSC1=NN=C(N1C(=O)C2=C(N=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H11ClN4OS/c1-2-11-24-17-21-20-15(12-7-4-3-5-8-12)22(17)16(23)13-9-6-10-19-14(13)18/h1,3-10H,11H2