5-[(4-chloranyl-3-methyl-phenoxy)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(4-chloranyl-3-methyl-phenoxy)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(4-chloro-3-methyl-phenoxy)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(4-chloro-3-methylphenoxy)methyl]-3-[(4-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(4-chloro-3-methylphenoxy)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(4-chloro-3-methyl-phenoxy)methyl]-3-[(4-nitrobenzyl)thio]-1H-1,2,4-triazole Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN4O3S/c1-11-8-14(6-7-15(11)18)25-9-16-19-17(21-20-16)26-10-12-2-4-13(5-3-12)22(23)24/h2-8H,9-10H2,1H3,(H,19,20,21)