N-methyl-2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-methyl-2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-methyl-2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-methyl-2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NN=C(N1CC=C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)CSC1=NN=C(N1CC=C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O3S/c1-3-7-18-13(10-5-4-6-11(8-10)19(21)22)16-17-14(18)23-9-12(20)15-2/h3-6,8H,1,7,9H2,2H3,(H,15,20)