2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one CAS Name: 2-[[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-3-(2-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]thio]methyl]-3-(2-methoxyphenyl)quinazolin-4-one Formula: C31H33N5O2S MolecularWeight: 539.69102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NN=C(N4CC=C)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NN=C(N4CC=C)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H33N5O2S/c1-3-12-35-29(31-16-20-13-21(17-31)15-22(14-20)18-31)33-34-30(35)39-19-27-32-24-9-5-4-8-23(24)28(37)36(27)25-10-6-7-11-26(25)38-2/h3-11,20-22H,1,12-19H2,2H3