N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-3-methyl-4-nitro-benzamide Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN5O3S/c1-10-8-12(4-7-14(10)23(25)26)15(24)19-16-20-17(22-21-16)27-9-11-2-5-13(18)6-3-11/h2-8H,9H2,1H3,(H2,19,20,21,22,24)