3-nitro-4-[(phenylmethyl)amino]thiochromen-2-one

Systemtic Name: 3-nitro-4-[(phenylmethyl)amino]thiochromen-2-one Openeye Name: 4-(benzylamino)-3-nitro-thiochromen-2-one CAS Name: 3-nitro-4-[(phenylmethyl)amino]-1-benzothiopyran-2-one IUPAC Name: 4-(benzylamino)-3-nitrothiochromen-2-one Traditional Name: 4-(benzylamino)-3-nitro-thiochromen-2-one Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=O)SC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=O)SC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O3S/c19-16-15(18(20)21)14(12-8-4-5-9-13(12)22-16)17-10-11-6-2-1-3-7-11/h1-9,17H,10H2