1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one

Systemtic Name: 1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Openeye Name: 1-[4-[1-[(2-methylthiazol-4-yl)methyl]imidazol-2-yl]-1-piperidyl]-3-(5-nitro-2-furyl)prop-2-en-1-one CAS Name: 1-[4-[1-[(2-methyl-4-thiazolyl)methyl]-2-imidazolyl]-1-piperidinyl]-3-(5-nitro-2-furanyl)-2-propen-1-one IUPAC Name: 1-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]piperidin-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Traditional Name: 1-[4-[1-[(2-methylthiazol-4-yl)methyl]imidazol-2-yl]piperidino]-3-(5-nitro-2-furyl)prop-2-en-1-one Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2C=CN=C2C3CCN(CC3)C(=O)C=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CN2C=CN=C2C3CCN(CC3)C(=O)C=CC4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c1-14-22-16(13-30-14)12-24-11-8-21-20(24)15-6-9-23(10-7-15)18(26)4-2-17-3-5-19(29-17)25(27)28/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3