(4-azanyl-3-nitro-phenyl)-[4-methyl-2-(prop-2-enylamino)-3H-1,2-thiazol-5-yl]methanone

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[4-methyl-2-(prop-2-enylamino)-3H-1,2-thiazol-5-yl]methanone Openeye Name: [2-(allylamino)-4-methyl-3H-isothiazol-5-yl]-(4-amino-3-nitro-phenyl)methanone CAS Name: (4-amino-3-nitrophenyl)-[4-methyl-2-(prop-2-enylamino)-3H-isothiazol-5-yl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[4-methyl-2-(prop-2-enylamino)-3H-1,2-thiazol-5-yl]methanone Traditional Name: [2-(allylamino)-4-methyl-4-isothiazolin-5-yl]-(4-amino-3-nitro-phenyl)methanone Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN(C1)NCC=C)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SN(C1)NCC=C)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c1-3-6-16-17-8-9(2)14(22-17)13(19)10-4-5-11(15)12(7-10)18(20)21/h3-5,7,16H,1,6,8,15H2,2H3