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

Systemtic Name: 3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 3-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 3-[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 3-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCSC2=NN=C(N2CC=C)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCSC2=NN=C(N2CC=C)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c1-3-9-23-18(16-5-4-10-29-16)21-22-19(23)30-11-8-17(25)20-14-7-6-13(28-2)12-15(14)24(26)27/h3-7,10,12H,1,8-9,11H2,2H3,(H,20,25)