4-[[4-methyl-5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-methyl-5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-methyl-5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-methyl-5-[(2-methyl-5-nitro-1-imidazolyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-methyl-5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-methyl-5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C16H15N7O2S MolecularWeight: 369.401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC2=NN=C(N2C)SCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC2=NN=C(N2C)SCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O2S/c1-11-18-8-15(23(24)25)22(11)9-14-19-20-16(21(14)2)26-10-13-5-3-12(7-17)4-6-13/h3-6,8H,9-10H2,1-2H3