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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C20H18ClN5O3S MolecularWeight: 443.90662

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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(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClN5O3S/c1-3-11-25-18(14-7-5-4-6-8-14)23-24-20(25)30-13(2)19(27)22-17-12-15(26(28)29)9-10-16(17)21/h3-10,12-13H,1,11H2,2H3,(H,22,27)