[[4-[(5-nitro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate

Systemtic Name: [[4-[(5-nitro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate Openeye Name: [[4-[(5-nitro-1,3-benzoxazol-2-yl)sulfanylmethyl]thiazol-2-yl]amino] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [[4-[[(5-nitro-1,3-benzoxazol-2-yl)thio]methyl]-2-thiazolyl]amino] ester IUPAC Name: [[4-[(5-nitro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [[4-[[(5-nitro-1,3-benzoxazol-2-yl)thio]methyl]thiazol-2-yl]amino] ester Formula: C18H14N4O5S3 MolecularWeight: 462.52256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)ONC2=NC(=CS2)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)ONC2=NC(=CS2)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5S3/c1-11-2-5-14(6-3-11)30(25)27-21-17-19-12(9-28-17)10-29-18-20-15-8-13(22(23)24)4-7-16(15)26-18/h2-9H,10H2,1H3,(H,19,21)