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

Systemtic Name: 7-methyl-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[[5-(2-thenyl)-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=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C18H15N3O2S2/c1-11-4-5-14-12(8-17(22)23-15(14)7-11)10-25-18-19-16(20-21-18)9-13-3-2-6-24-13/h2-8H,9-10H2,1H3,(H,19,20,21)