2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-[(4-isopropylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[5-[(4-propan-2-ylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[5-[(4-isopropylbenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]quinazolin-4-yl]amine Formula: C21H21N5S3 MolecularWeight: 439.61994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H21N5S3/c1-13(2)15-9-7-14(8-10-15)11-27-20-25-26-21(29-20)28-12-18-23-17-6-4-3-5-16(17)19(22)24-18/h3-10,13H,11-12H2,1-2H3,(H2,22,23,24)