N-[1-(2-bromophenyl)ethyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide

Systemtic Name: N-[1-(2-bromophenyl)ethyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Openeye Name: N-[1-(2-bromophenyl)ethyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide CAS Name: N-[1-(2-bromophenyl)ethyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide IUPAC Name: N-[1-(2-bromophenyl)ethyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Traditional Name: N-[1-(2-bromophenyl)ethyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide Formula: C17H14BrN5O3S MolecularWeight: 448.29376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3

Isomeric SMILES

CC(C1=CC=CC=C1Br)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3

InChI

InChI=1S/C17H14BrN5O3S/c1-10(12-4-2-3-5-14(12)18)21-16(24)13-8-11(23(25)26)6-7-15(13)27-17-19-9-20-22-17/h2-10H,1H3,(H,21,24)(H,19,20,22)