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

Systemtic Name: 1-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]benzo[f]chromen-3-one Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NNC(=N4)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NNC(=N4)N

InChI

InChI=1S/C16H12N4O2S/c17-15-18-16(20-19-15)23-8-10-7-13(21)22-12-6-5-9-3-1-2-4-11(9)14(10)12/h1-7H,8H2,(H3,17,18,19,20)