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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-3-nitro-phenyl)-2-phenyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-chloro-3-nitro-phenyl)-2-phenyl-acetamide Formula: C22H20ClN5O3S MolecularWeight: 469.9439

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C22H20ClN5O3S/c1-2-12-27-20(15-8-9-15)25-26-22(27)32-19(14-6-4-3-5-7-14)21(29)24-16-10-11-17(23)18(13-16)28(30)31/h2-7,10-11,13,15,19H,1,8-9,12H2,(H,24,29)