1-[2-[3-(chloromethyl)-2-methyl-phenyl]sulfanylethyl]-1,2,4-triazole

Systemtic Name: 1-[2-[3-(chloromethyl)-2-methyl-phenyl]sulfanylethyl]-1,2,4-triazole Openeye Name: 1-[2-[3-(chloromethyl)-2-methyl-phenyl]sulfanylethyl]-1,2,4-triazole CAS Name: 1-[2-[[3-(chloromethyl)-2-methylphenyl]thio]ethyl]-1,2,4-triazole IUPAC Name: 1-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]-1,2,4-triazole Traditional Name: 1-[2-[[3-(chloromethyl)-2-methyl-phenyl]thio]ethyl]-1,2,4-triazole Formula: C12H14ClN3S MolecularWeight: 267.77766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCN2C=NC=N2)CCl

Isomeric SMILES

CC1=C(C=CC=C1SCCN2C=NC=N2)CCl

InChI

InChI=1S/C12H14ClN3S/c1-10-11(7-13)3-2-4-12(10)17-6-5-16-9-14-8-15-16/h2-4,8-9H,5-7H2,1H3