2-[[5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C14H13ClN4OS MolecularWeight: 320.79722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC#N)COC3=CC=CC=C3Cl

Isomeric SMILES

C1CC1N2C(=NN=C2SCC#N)COC3=CC=CC=C3Cl

InChI

InChI=1S/C14H13ClN4OS/c15-11-3-1-2-4-12(11)20-9-13-17-18-14(21-8-7-16)19(13)10-5-6-10/h1-4,10H,5-6,8-9H2