N-cycloheptyl-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide

Systemtic Name: N-cycloheptyl-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Openeye Name: N-cycloheptyl-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide CAS Name: N-cycloheptyl-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide IUPAC Name: N-cycloheptyl-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Traditional Name: N-cycloheptyl-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3

InChI

InChI=1S/C16H19N5O3S/c22-15(19-11-5-3-1-2-4-6-11)13-9-12(21(23)24)7-8-14(13)25-16-17-10-18-20-16/h7-11H,1-6H2,(H,19,22)(H,17,18,20)