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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-yl-3-nitro-benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-naphthyl)-3-nitro-benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(2-naphthalenyl)-3-nitrobenzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-yl-3-nitrobenzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(2-naphthyl)-3-nitro-benzamide Formula: C20H15N5O3S MolecularWeight: 405.4298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O3S/c1-24-12-21-23-20(24)29-18-9-7-15(11-17(18)25(27)28)19(26)22-16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,22,26)