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

Systemtic Name: 7-methyl-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC=C)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC=C)C)C(C)C

InChI

InChI=1S/C20H23N3O2S/c1-6-7-23-14(5)21-22-20(23)26-11-15-9-19(24)25-18-8-13(4)16(12(2)3)10-17(15)18/h6,8-10,12H,1,7,11H2,2-5H3