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

Systemtic Name: 4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 1-phenyl-4-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 4-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 1-phenyl-4-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H23N3O2S2/c25-18(16-7-2-1-3-8-16)10-5-14-28-21-23-22-20(19-11-6-13-27-19)24(21)15-17-9-4-12-26-17/h1-3,6-8,11,13,17H,4-5,9-10,12,14-15H2