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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NN=CN2C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NN=CN2C

InChI

InChI=1S/C13H15N5O3S/c1-8-10(5-4-6-11(8)18(20)21)15-12(19)9(2)22-13-16-14-7-17(13)3/h4-7,9H,1-3H3,(H,15,19)