3-[3-[(4-azanylquinazolin-2-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(4-azanylquinazolin-2-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(4-amino-2-quinazolinyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(4-aminoquinazolin-2-yl)methylthio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C18H17N7OS2 MolecularWeight: 411.50388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=C(N3CCC(=O)N)C4=CC=CS4)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=C(N3CCC(=O)N)C4=CC=CS4)N

InChI

InChI=1S/C18H17N7OS2/c19-14(26)7-8-25-17(13-6-3-9-27-13)23-24-18(25)28-10-15-21-12-5-2-1-4-11(12)16(20)22-15/h1-6,9H,7-8,10H2,(H2,19,26)(H2,20,21,22)