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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c1-5-12-26-20(17-8-6-7-9-19(17)31-4)24-25-22(26)32-15(3)21(28)23-16-11-10-14(2)18(13-16)27(29)30/h5-11,13,15H,1,12H2,2-4H3,(H,23,28)