N-[3-[3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-[(2-methyl-3-nitrophenyl)methylthio]-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C18H17N5O3S/c1-12-14(5-3-8-17(12)23(25)26)10-27-18-21-19-11-22(18)16-7-4-6-15(9-16)20-13(2)24/h3-9,11H,10H2,1-2H3,(H,20,24)