7-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C17H13N3O2S2 MolecularWeight: 355.43402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CS4

InChI

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