3-chloranyl-5-(4-methylphenyl)sulfanyl-1-[(4-nitrophenyl)methyl]-1,2,4-triazole

Systemtic Name: 3-chloranyl-5-(4-methylphenyl)sulfanyl-1-[(4-nitrophenyl)methyl]-1,2,4-triazole Openeye Name: 3-chloro-1-[(4-nitrophenyl)methyl]-5-(p-tolylsulfanyl)-1,2,4-triazole CAS Name: 3-chloro-5-[(4-methylphenyl)thio]-1-[(4-nitrophenyl)methyl]-1,2,4-triazole IUPAC Name: 3-chloro-5-(4-methylphenyl)sulfanyl-1-[(4-nitrophenyl)methyl]-1,2,4-triazole Traditional Name: 3-chloro-1-(4-nitrobenzyl)-5-(p-tolylthio)-1,2,4-triazole Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=NN2CC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=NN2CC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClN4O2S/c1-11-2-8-14(9-3-11)24-16-18-15(17)19-20(16)10-12-4-6-13(7-5-12)21(22)23/h2-9H,10H2,1H3