N-(2-chloranyl-5-nitro-phenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H16ClN5O3S2 MolecularWeight: 485.96644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H16ClN5O3S2/c1-13(20(28)23-17-12-15(27(29)30)9-10-16(17)22)32-21-25-24-19(18-8-5-11-31-18)26(21)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,28)