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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3CC=C

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3CC=C

InChI

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