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

Systemtic Name: 1-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzo[f]chromen-3-one Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C20H17N3O2S/c1-3-10-23-13(2)21-22-20(23)26-12-15-11-18(24)25-17-9-8-14-6-4-5-7-16(14)19(15)17/h3-9,11H,1,10,12H2,2H3