N-cycloheptyl-5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide

Systemtic Name: N-cycloheptyl-5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide Openeye Name: N-cycloheptyl-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzamide CAS Name: N-cycloheptyl-5-nitro-2-[(1-phenyl-5-tetrazolyl)thio]benzamide IUPAC Name: N-cycloheptyl-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzamide Traditional Name: N-cycloheptyl-5-nitro-2-[(1-phenyltetrazol-5-yl)thio]benzamide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O3S/c28-20(22-15-8-4-1-2-5-9-15)18-14-17(27(29)30)12-13-19(18)31-21-23-24-25-26(21)16-10-6-3-7-11-16/h3,6-7,10-15H,1-2,4-5,8-9H2,(H,22,28)