5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-N-(3-bromophenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-N-(3-bromophenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-N-(3-bromophenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-amino-2-quinazolinyl)methylthio]-N-(3-bromophenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-N-(3-bromophenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-aminoquinazolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]-(3-bromophenyl)amine Formula: C17H13BrN6S2 MolecularWeight: 445.35932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=C(S3)NC4=CC(=CC=C4)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=C(S3)NC4=CC(=CC=C4)Br)N

InChI

InChI=1S/C17H13BrN6S2/c18-10-4-3-5-11(8-10)20-16-23-24-17(26-16)25-9-14-21-13-7-2-1-6-12(13)15(19)22-14/h1-8H,9H2,(H,20,23)(H2,19,21,22)