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

Systemtic Name: 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzo[f]chromen-3-one Formula: C17H13N3O2S2 MolecularWeight: 355.43402

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C17H13N3O2S2/c1-18-16-19-20-17(24-16)23-9-11-8-14(21)22-13-7-6-10-4-2-3-5-12(10)15(11)13/h2-8H,9H2,1H3,(H,18,19)