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

Systemtic Name: 7-methyl-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC=C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC=C)C

InChI

InChI=1S/C17H17N3O2S/c1-4-7-20-12(3)18-19-17(20)23-10-13-9-16(21)22-15-8-11(2)5-6-14(13)15/h4-6,8-9H,1,7,10H2,2-3H3