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

Systemtic Name: 7-methyl-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C23H17N3O2S2 MolecularWeight: 431.52998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C23H17N3O2S2/c1-15-9-10-18-16(13-21(27)28-19(18)12-15)14-30-23-25-24-22(20-8-5-11-29-20)26(23)17-6-3-2-4-7-17/h2-13H,14H2,1H3