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

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-2-nitro-benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-nitro-benzamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-2-nitrobenzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-nitrobenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-2-nitro-benzamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC=CC=C2[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC=CC=C2[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C17H15N5O3S/c1-12-18-19-17(26-11-13-7-3-2-4-8-13)21(12)20-16(23)14-9-5-6-10-15(14)22(24)25/h2-10H,11H2,1H3,(H,20,23)