4-methyl-3-(4-phenoxybut-2-ynylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-(4-phenoxybut-2-ynylsulfanyl)-1,2,4-triazole Openeye Name: 4-methyl-3-(4-phenoxybut-2-ynylsulfanyl)-1,2,4-triazole CAS Name: 4-methyl-3-(4-phenoxybut-2-ynylthio)-1,2,4-triazole IUPAC Name: 4-methyl-3-(4-phenoxybut-2-ynylsulfanyl)-1,2,4-triazole Traditional Name: 4-methyl-3-(4-phenoxybut-2-ynylthio)-1,2,4-triazole Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC#CCOC2=CC=CC=C2

Isomeric SMILES

CN1C=NN=C1SCC#CCOC2=CC=CC=C2

InChI

InChI=1S/C13H13N3OS/c1-16-11-14-15-13(16)18-10-6-5-9-17-12-7-3-2-4-8-12/h2-4,7-8,11H,9-10H2,1H3