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

Systemtic Name: 7-methoxy-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-methoxy-chromen-2-one CAS Name: 7-methoxy-4-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-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-methoxy-coumarin Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C17H17N3O3S/c1-4-7-20-11(2)18-19-17(20)24-10-12-8-16(21)23-15-9-13(22-3)5-6-14(12)15/h4-6,8-9H,1,7,10H2,2-3H3