1-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]benzo[f]chromen-3-one Formula: C22H15N3O2S2 MolecularWeight: 417.5034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C22H15N3O2S2/c26-19-12-15(20-17-9-5-4-6-14(17)10-11-18(20)27-19)13-28-22-25-24-21(29-22)23-16-7-2-1-3-8-16/h1-12H,13H2,(H,23,24)