4-[[5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-benzyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(2-methyl-3-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-benzyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SCCC(=O)C

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SCCC(=O)C

InChI

InChI=1S/C18H19N3O2S/c1-13(22)9-11-24-18-20-19-17(16-8-10-23-14(16)2)21(18)12-15-6-4-3-5-7-15/h3-8,10H,9,11-12H2,1-2H3