N-(4-chloranyl-3-nitro-phenyl)-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C14H16ClN5O3S MolecularWeight: 369.82654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C(C)C)SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C(C)C)SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H16ClN5O3S/c1-8(2)19-9(3)17-18-14(19)24-7-13(21)16-10-4-5-11(15)12(6-10)20(22)23/h4-6,8H,7H2,1-3H3,(H,16,21)