N-[[2-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[2-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2-isobutyltetrazol-5-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[[2-(2-methylpropyl)-5-tetrazolyl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(2-methylpropyl)tetrazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2-isobutyltetrazol-5-yl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C17H22N8O3S MolecularWeight: 418.47338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N8O3S/c1-11(2)10-24-21-16(20-22-24)19-17(29)18-15(26)12-5-6-13(14(9-12)25(27)28)23-7-3-4-8-23/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H2,18,19,21,26,29)