3-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-methyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-methyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(2-chloro-4-nitro-phenyl)sulfanyl-5-methyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]-5-methyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(2-chloro-4-nitrophenyl)sulfanyl-5-methyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(2-chloro-4-nitro-phenyl)thio]-5-methyl-1,2,4-triazole Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

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