N-[1-[4-[2,5-bis(chloranyl)phenyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[1-[4-[2,5-bis(chloranyl)phenyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[1-[4-(2,5-dichlorophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[1-[5-(benzylthio)-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-3-nitro-benzamide Formula: C25H21Cl2N5O3S MolecularWeight: 542.43694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C)C2=NN=C(N2C3=C(C=CC(=C3)Cl)Cl)SCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(C)C2=NN=C(N2C3=C(C=CC(=C3)Cl)Cl)SCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21Cl2N5O3S/c1-15-8-9-18(12-21(15)32(34)35)24(33)28-16(2)23-29-30-25(36-14-17-6-4-3-5-7-17)31(23)22-13-19(26)10-11-20(22)27/h3-13,16H,14H2,1-2H3,(H,28,33)