4-chloranyl-N-[1-[5-[(2-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-[5-[(2-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-3-nitro-N-[1-[4-(4-nitrophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 4-chloro-N-[1-[5-[(2-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[5-[(2-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-nitro-benzamide Formula: C25H21ClN6O5S MolecularWeight: 552.98944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(C)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(C)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H21ClN6O5S/c1-15-5-3-4-6-18(15)14-38-25-29-28-23(30(25)19-8-10-20(11-9-19)31(34)35)16(2)27-24(33)17-7-12-21(26)22(13-17)32(36)37/h3-13,16H,14H2,1-2H3,(H,27,33)