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

Systemtic Name: N-(cyclohexylmethyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Openeye Name: N-(cyclohexylmethyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide CAS Name: N-(cyclohexylmethyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide IUPAC Name: N-(cyclohexylmethyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Traditional Name: N-(cyclohexylmethyl)-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:

C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3

InChI

InChI=1S/C16H19N5O3S/c22-15(17-9-11-4-2-1-3-5-11)13-8-12(21(23)24)6-7-14(13)25-16-18-10-19-20-16/h6-8,10-11H,1-5,9H2,(H,17,22)(H,18,19,20)