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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-quinazolinamine IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]quinazolin-4-yl]amine Formula: C20H18N6S MolecularWeight: 374.46212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C20H18N6S/c21-18-15-8-4-5-9-16(15)22-17(23-18)12-27-20-25-24-19(13-10-11-13)26(20)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H2,21,22,23)