N-(3-methylphenyl)-6-(2H-1,2,3-triazol-4-ylsulfanylmethyl)quinazolin-4-amine

Systemtic Name: N-(3-methylphenyl)-6-(2H-1,2,3-triazol-4-ylsulfanylmethyl)quinazolin-4-amine Openeye Name: N-(m-tolyl)-6-(2H-triazol-4-ylsulfanylmethyl)quinazolin-4-amine CAS Name: N-(3-methylphenyl)-6-[(2H-triazol-4-ylthio)methyl]-4-quinazolinamine IUPAC Name: N-(3-methylphenyl)-6-(2H-triazol-4-ylsulfanylmethyl)quinazolin-4-amine Traditional Name: m-tolyl-[6-[(2H-triazol-4-ylthio)methyl]quinazolin-4-yl]amine Formula: C18H16N6S MolecularWeight: 348.42484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)CSC4=NNN=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)CSC4=NNN=C4

InChI

InChI=1S/C18H16N6S/c1-12-3-2-4-14(7-12)22-18-15-8-13(5-6-16(15)19-11-20-18)10-25-17-9-21-24-23-17/h2-9,11H,10H2,1H3,(H,19,20,22)(H,21,23,24)