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

Systemtic Name: 7-methyl-6-propan-2-yl-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 4-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3CC=C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3CC=C)C(C)C

InChI

InChI=1S/C19H21N3O2S/c1-5-6-22-11-20-21-19(22)25-10-14-8-18(23)24-17-7-13(4)15(12(2)3)9-16(14)17/h5,7-9,11-12H,1,6,10H2,2-4H3