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

Systemtic Name: (5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)-thiophen-2-yl-methanone Openeye Name: (5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)-(2-thienyl)methanone CAS Name: [5-phenyl-3-(prop-2-ynylthio)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone IUPAC Name: (5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone Traditional Name: [5-phenyl-3-(propargylthio)-1,2,4-triazol-1-yl]-(2-thienyl)methanone Formula: C16H11N3OS2 MolecularWeight: 325.40804

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NN(C(=N1)C2=CC=CC=C2)C(=O)C3=CC=CS3

Isomeric SMILES

C#CCSC1=NN(C(=N1)C2=CC=CC=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C16H11N3OS2/c1-2-10-22-16-17-14(12-7-4-3-5-8-12)19(18-16)15(20)13-9-6-11-21-13/h1,3-9,11H,10H2