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

Systemtic Name: N-[(E)-(4-nitrophenyl)methylideneamino]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(4-nitrophenyl)methyleneamino]acetamide CAS Name: N-[(E)-(4-nitrophenyl)methylideneamino]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(E)-(4-nitrophenyl)methylideneamino]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(E)-(4-nitrobenzylidene)amino]acetamide Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H18N6O3S/c1-2-12-25-19(16-6-4-3-5-7-16)23-24-20(25)30-14-18(27)22-21-13-15-8-10-17(11-9-15)26(28)29/h2-11,13H,1,12,14H2,(H,22,27)/b21-13+