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

Systemtic Name: 7-methyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-13(2)17-11-18-16(10-20(26)27-19(18)9-14(17)3)12-28-22-23-21(24-25-22)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,23,24,25)