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

Systemtic Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C18H16N6OS/c1-25-13-6-4-5-12(9-13)24-11-20-23-18(24)26-10-16-21-15-8-3-2-7-14(15)17(19)22-16/h2-9,11H,10H2,1H3,(H2,19,21,22)