2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]methyl]quinazolin-4-yl]amine Formula: C18H17N7S MolecularWeight: 363.43948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=N3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=N3)N)C

InChI

InChI=1S/C18H17N7S/c1-11-7-8-13(9-12(11)2)25-18(22-23-24-25)26-10-16-20-15-6-4-3-5-14(15)17(19)21-16/h3-9H,10H2,1-2H3,(H2,19,20,21)