N-(2,4-dimethyl-6-nitro-phenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2,4-dimethyl-6-nitrophenyl)-2-[[4-methyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,4-dimethyl-6-nitrophenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H17N7O3S MolecularWeight: 399.42698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C3=NC=CN=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C3=NC=CN=C3)C

InChI

InChI=1S/C17H17N7O3S/c1-10-6-11(2)15(13(7-10)24(26)27)20-14(25)9-28-17-22-21-16(23(17)3)12-8-18-4-5-19-12/h4-8H,9H2,1-3H3,(H,20,25)