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

Systemtic Name: 7-methyl-6-propan-2-yl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)C4=CC=CS4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)C4=CC=CS4)C(C)C

InChI

InChI=1S/C20H19N3O2S2/c1-11(2)14-9-15-13(8-18(24)25-16(15)7-12(14)3)10-27-20-21-19(22-23-20)17-5-4-6-26-17/h4-9,11H,10H2,1-3H3,(H,21,22,23)