2-[5-[(2-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[5-[(2-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-allyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[5-[(2-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[5-[(2-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[4-allyl-5-[(2-nitrobenzyl)thio]-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H19N5O3S/c1-2-12-24-18(13-19(26)21-16-9-4-3-5-10-16)22-23-20(24)29-14-15-8-6-7-11-17(15)25(27)28/h2-11H,1,12-14H2,(H,21,26)