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

Systemtic Name: 1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzo[f]chromen-3-one Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C23H23N3O2S/c1-15-24-25-23(26(15)18-8-3-2-4-9-18)29-14-17-13-21(27)28-20-12-11-16-7-5-6-10-19(16)22(17)20/h5-7,10-13,18H,2-4,8-9,14H2,1H3