2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C17H13ClN6S MolecularWeight: 368.84332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=CN3C4=CC(=CC=C4)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=CN3C4=CC(=CC=C4)Cl)N

InChI

InChI=1S/C17H13ClN6S/c18-11-4-3-5-12(8-11)24-10-20-23-17(24)25-9-15-21-14-7-2-1-6-13(14)16(19)22-15/h1-8,10H,9H2,(H2,19,21,22)