4-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[4-(2-furylmethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[4-(2-furanylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[4-(2-furfuryl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)butan-1-one Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCCCC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H21N3O2S2/c1-16-6-2-7-17(14-16)21-23-24-22(25(21)15-18-8-3-11-27-18)29-13-4-9-19(26)20-10-5-12-28-20/h2-3,5-8,10-12,14H,4,9,13,15H2,1H3