1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzo[f]chromen-3-one

Systemtic Name: 1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzo[f]chromen-3-one Openeye Name: 1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzo[f]chromen-3-one CAS Name: 1-[(1H-1,2,4-triazol-5-ylthio)methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzo[f]chromen-3-one Traditional Name: 1-[(1H-1,2,4-triazol-5-ylthio)methyl]benzo[f]chromen-3-one Formula: C16H11N3O2S MolecularWeight: 309.34244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NC=NN4

InChI

InChI=1S/C16H11N3O2S/c20-14-7-11(8-22-16-17-9-18-19-16)15-12-4-2-1-3-10(12)5-6-13(15)21-14/h1-7,9H,8H2,(H,17,18,19)