N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-methyl-5-(2-pyridyl)thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-methyl-5-(2-pyridinyl)-2-thiazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-methyl-5-(2-pyridyl)thiazol-2-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC=CC=N4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C20H19N5O3S/c1-13-18(15-6-2-3-9-21-15)29-20(22-13)23-19(26)14-7-8-16(17(12-14)25(27)28)24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,22,23,26)