2-[2-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-allyl-5-(3-methyl-2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[5-(3-methyl-2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[4-allyl-5-(3-methyl-2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC1=C(OC=C1)C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C21H18N6O2S/c1-3-10-27-19(18-14(2)8-12-29-18)24-25-21(27)30-13-17-23-16-7-5-4-6-15(16)20(28)26(17)11-9-22/h3-8,12H,1,10-11,13H2,2H3