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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitro-phenyl)propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4-nitro-phenyl)propionamide Formula: C15H16ClN5O3S MolecularWeight: 381.83724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NN=C(N1CC=C)SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H16ClN5O3S/c1-4-7-20-10(3)18-19-15(20)25-9(2)14(22)17-13-6-5-11(21(23)24)8-12(13)16/h4-6,8-9H,1,7H2,2-3H3,(H,17,22)