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

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C19H18N6O4S MolecularWeight: 426.44902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4S/c1-3-9-24-18(13-5-4-8-20-11-13)22-23-19(24)30-12-17(26)21-15-7-6-14(29-2)10-16(15)25(27)28/h3-8,10-11H,1,9,12H2,2H3,(H,21,26)