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

Systemtic Name: 7-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C)C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C23H23N3O2S/c1-14(2)18-12-19-17(11-21(27)28-20(19)10-15(18)3)13-29-23-25-24-22(26(23)4)16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3