6,7-dimethyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C18H15N3O2S2 MolecularWeight: 369.4606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CS4)C

InChI

InChI=1S/C18H15N3O2S2/c1-10-6-13-12(8-16(22)23-14(13)7-11(10)2)9-25-18-19-17(20-21-18)15-4-3-5-24-15/h3-8H,9H2,1-2H3,(H,19,20,21)