N-[3-(hydroxymethyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[3-(hydroxymethyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[3-(hydroxymethyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[3-(hydroxymethyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[3-(hydroxymethyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(3-methylolphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)CO)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)CO)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S/c1-21-10-18-20-17(21)27-15-6-5-12(8-14(15)22(25)26)16(24)19-13-4-2-3-11(7-13)9-23/h2-8,10,23H,9H2,1H3,(H,19,24)