N-[4-[2-methyl-1-(1,2,4-triazol-1-yl)propyl]-2-nitro-phenyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-[4-[2-methyl-1-(1,2,4-triazol-1-yl)propyl]-2-nitro-phenyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-[4-[2-methyl-1-(1,2,4-triazol-1-yl)propyl]-2-nitro-phenyl]-2-(3-thienyl)acetamide CAS Name: N-[4-[2-methyl-1-(1,2,4-triazol-1-yl)propyl]-2-nitrophenyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-[4-[2-methyl-1-(1,2,4-triazol-1-yl)propyl]-2-nitrophenyl]-2-thiophen-3-ylacetamide Traditional Name: N-[4-[2-methyl-1-(1,2,4-triazol-1-yl)propyl]-2-nitro-phenyl]-2-(3-thienyl)acetamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC(=C(C=C1)NC(=O)CC2=CSC=C2)[N+](=O)[O-])N3C=NC=N3

Isomeric SMILES

CC(C)C(C1=CC(=C(C=C1)NC(=O)CC2=CSC=C2)[N+](=O)[O-])N3C=NC=N3

InChI

InChI=1S/C18H19N5O3S/c1-12(2)18(22-11-19-10-20-22)14-3-4-15(16(8-14)23(25)26)21-17(24)7-13-5-6-27-9-13/h3-6,8-12,18H,7H2,1-2H3,(H,21,24)