5-[[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-benzyl-5-[[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-benzyl-5-[[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-benzyl-5-[[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C26H21N5O2S2 MolecularWeight: 499.60724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NN=C(S4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NN=C(S4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H21N5O2S2/c1-17-11-13-19(14-12-17)31-25(33)20-9-5-6-10-21(20)28-26(31)34-16-22-29-30-24(35-22)23(32)27-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,27,32)