2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-quinazolinamine IUPAC Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C15H12N6S2 MolecularWeight: 340.42598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NNC(=N3)C4=CC=CS4)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NNC(=N3)C4=CC=CS4)N

InChI

InChI=1S/C15H12N6S2/c16-13-9-4-1-2-5-10(9)17-12(18-13)8-23-15-19-14(20-21-15)11-6-3-7-22-11/h1-7H,8H2,(H2,16,17,18)(H,19,20,21)