3-(2,2-dimethoxyethyl)-4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(2,2-dimethoxyethyl)-4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole Openeye Name: 3-(2,2-dimethoxyethyl)-4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole CAS Name: 3-(2,2-dimethoxyethyl)-4-phenyl-5-(prop-2-ynylthio)-1,2,4-triazole IUPAC Name: 3-(2,2-dimethoxyethyl)-4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole Traditional Name: 3-(2,2-dimethoxyethyl)-4-phenyl-5-(propargylthio)-1,2,4-triazole Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=NN=C(N1C2=CC=CC=C2)SCC#C)OC

Isomeric SMILES

COC(CC1=NN=C(N1C2=CC=CC=C2)SCC#C)OC

InChI

InChI=1S/C15H17N3O2S/c1-4-10-21-15-17-16-13(11-14(19-2)20-3)18(15)12-8-6-5-7-9-12/h1,5-9,14H,10-11H2,2-3H3