6-nitro-3-[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]chromen-2-one

Systemtic Name: 6-nitro-3-[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]chromen-2-one Openeye Name: 3-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one CAS Name: 6-nitro-3-[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]-1-benzopyran-2-one IUPAC Name: 3-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]-6-nitrochromen-2-one Traditional Name: 3-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]-6-nitro-coumarin Formula: C18H12N4O4S MolecularWeight: 380.37728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C18H12N4O4S/c23-17-14(9-12-8-13(22(24)25)6-7-15(12)26-17)16-20-21-18(27-16)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,21)