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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C14H14ClN5O3S MolecularWeight: 367.81066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H14ClN5O3S/c1-8-17-18-14(19(8)9-2-3-9)24-7-13(21)16-12-5-4-10(20(22)23)6-11(12)15/h4-6,9H,2-3,7H2,1H3,(H,16,21)