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

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4S/c1-4-9-25-19(14-5-7-21-8-6-14)23-24-20(25)31-12-18(27)22-15-11-17(30-3)16(26(28)29)10-13(15)2/h4-8,10-11H,1,9,12H2,2-3H3,(H,22,27)