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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3-phenoxyphenyl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3-phenoxyphenyl)benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(3-phenoxyphenyl)benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3-phenoxyphenyl)benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(3-phenoxyphenyl)benzamide Formula: C22H17N5O4S MolecularWeight: 447.46648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4S/c1-26-14-23-25-22(26)32-20-11-10-15(12-19(20)27(29)30)21(28)24-16-6-5-9-18(13-16)31-17-7-3-2-4-8-17/h2-14H,1H3,(H,24,28)