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

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C19H18N6S2 MolecularWeight: 394.51642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)CC5=CC=CS5

InChI

InChI=1S/C19H18N6S2/c20-18-14-5-1-2-6-15(14)21-16(22-18)11-27-19-24-23-17(25(19)12-7-8-12)10-13-4-3-9-26-13/h1-6,9,12H,7-8,10-11H2,(H2,20,21,22)