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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloranyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-chloro-2-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-chloro-2-nitro-phenyl)acetamide Formula: C13H13ClN6O3S MolecularWeight: 368.79872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H13ClN6O3S/c14-8-3-4-9(10(5-8)20(22)23)16-11(21)6-24-13-18-17-12(19(13)15)7-1-2-7/h3-5,7H,1-2,6,15H2,(H,16,21)