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

Systemtic Name: 2-[4-oxidanylidene-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C21H17N7OS MolecularWeight: 415.47098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=NC=C4

InChI

InChI=1S/C21H17N7OS/c1-2-12-28-19(15-7-10-23-11-8-15)25-26-21(28)30-14-18-24-17-6-4-3-5-16(17)20(29)27(18)13-9-22/h2-8,10-11H,1,12-14H2