2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H15ClN4OS MolecularWeight: 370.8559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC#N)Cl

InChI

InChI=1S/C18H15ClN4OS/c1-13-11-15(7-8-16(13)19)24-12-17-21-22-18(25-10-9-20)23(17)14-5-3-2-4-6-14/h2-8,11H,10,12H2,1H3