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

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C)C3=CN=CC=C3

InChI

InChI=1S/C18H18N6O3S/c1-11-6-7-14(24(26)27)9-15(11)20-17(25)12(2)28-18-22-21-16(23(18)3)13-5-4-8-19-10-13/h4-10,12H,1-3H3,(H,20,25)