5-methyl-3-[[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-methyl-3-[[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1,2-thiazole-4-carbonitrile Openeye Name: 5-methyl-3-[[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]isothiazole-4-carbonitrile CAS Name: 5-methyl-3-[[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]methylthio]-4-isothiazolecarbonitrile IUPAC Name: 5-methyl-3-[[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1,2-thiazole-4-carbonitrile Traditional Name: 5-methyl-3-[[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]methylthio]isothiazole-4-carbonitrile Formula: C15H13N5OS2 MolecularWeight: 343.42662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NS1)SCC2=NC(=NN2)COC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=NS1)SCC2=NC(=NN2)COC3=CC=CC=C3)C#N

InChI

InChI=1S/C15H13N5OS2/c1-10-12(7-16)15(20-23-10)22-9-14-17-13(18-19-14)8-21-11-5-3-2-4-6-11/h2-6H,8-9H2,1H3,(H,17,18,19)