N-[3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]ethanamide

Systemtic Name: N-[3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]ethanamide Openeye Name: N-[3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]acetamide CAS Name: N-[3-[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]phenyl]acetamide IUPAC Name: N-[3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]phenyl]acetamide Traditional Name: N-[3-[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]phenyl]acetamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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