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

Systemtic Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone Openeye Name: (5-methyl-3-phenyl-isoxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone CAS Name: (5-methyl-3-phenyl-4-isoxazolyl)-[5-phenyl-3-(prop-2-ynylthio)-1,2,4-triazol-1-yl]methanone IUPAC Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone Traditional Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[5-phenyl-3-(propargylthio)-1,2,4-triazol-1-yl]methanone Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3C(=NC(=N3)SCC#C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3C(=NC(=N3)SCC#C)C4=CC=CC=C4

InChI

InChI=1S/C22H16N4O2S/c1-3-14-29-22-23-20(17-12-8-5-9-13-17)26(24-22)21(27)18-15(2)28-25-19(18)16-10-6-4-7-11-16/h1,4-13H,14H2,2H3