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

Systemtic Name: 4-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 7-hydroxy-4-[[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-coumarin Formula: C20H17N3O4S MolecularWeight: 395.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C20H17N3O4S/c1-3-7-23-19(15-6-8-26-12(15)2)21-22-20(23)28-11-13-9-18(25)27-17-10-14(24)4-5-16(13)17/h3-6,8-10,24H,1,7,11H2,2H3