1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-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-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-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-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]ethanone Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NN=C(N3CC=C)C4=C(OC=C4)C

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NN=C(N3CC=C)C4=C(OC=C4)C

InChI

InChI=1S/C22H23N5O3S/c1-6-8-26-21(17-7-9-29-16(17)5)23-24-22(26)31-12-19(28)18-10-13(2)27(15(18)4)20-11-14(3)30-25-20/h6-7,9-11H,1,8,12H2,2-5H3