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

Systemtic Name: 1-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]benzo[f]chromen-3-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C22H22N4O2S/c23-26-21(15-7-2-1-3-8-15)24-25-22(26)29-13-16-12-19(27)28-18-11-10-14-6-4-5-9-17(14)20(16)18/h4-6,9-12,15H,1-3,7-8,13,23H2