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

Systemtic Name: 4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 7-hydroxy-4-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-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-hydroxy-coumarin Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-3-6-19-10(2)17-18-16(19)23-9-11-7-15(21)22-14-8-12(20)4-5-13(11)14/h3-5,7-8,20H,1,6,9H2,2H3