3-nitro-4-(2,4,4-trimethylpentan-2-ylamino)thiochromen-2-one

Systemtic Name: 3-nitro-4-(2,4,4-trimethylpentan-2-ylamino)thiochromen-2-one Openeye Name: 3-nitro-4-(1,1,3,3-tetramethylbutylamino)thiochromen-2-one CAS Name: 3-nitro-4-(2,4,4-trimethylpentan-2-ylamino)-1-benzothiopyran-2-one IUPAC Name: 3-nitro-4-(2,4,4-trimethylpentan-2-ylamino)thiochromen-2-one Traditional Name: 3-nitro-4-(1,1,3,3-tetramethylbutylamino)thiochromen-2-one Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)NC1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O3S/c1-16(2,3)10-17(4,5)18-13-11-8-6-7-9-12(11)23-15(20)14(13)19(21)22/h6-9,18H,10H2,1-5H3