2-[[5-methyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-methyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-methyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-methyl-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-methyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-methyl-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2CCCO2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1CC2CCCO2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H19N3O2S/c1-12-17-18-16(19(12)10-14-8-5-9-21-14)22-11-15(20)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3