3-(2-chloranyl-4-methyl-phenyl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(2-chloranyl-4-methyl-phenyl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(2-chloro-4-methyl-phenyl)-4-methyl-1,2,4-triazole CAS Name: 3-(2-chloro-4-methylphenyl)-4-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(2-chloro-4-methyl-phenyl)-4-methyl-1,2,4-triazole Formula: C17H16ClN3S MolecularWeight: 329.84704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H16ClN3S/c1-12-8-9-14(15(18)10-12)16-19-20-17(21(16)2)22-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3