5-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-1,2,4-triazole CAS Name: 5-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-1,2,4-triazole Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCO1)CC2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

CC1(OCCO1)CC2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C14H17N3O2S/c1-14(18-7-8-19-14)9-12-15-13(17-16-12)20-10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,16,17)