1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H17N5O2S2/c1-10-7-13(12(3)23(10)16-8-11(2)25-22-16)14(24)9-27-18-19-17(20-21-18)15-5-4-6-26-15/h4-8H,9H2,1-3H3,(H,19,20,21)