4-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-3-yl-quinazoline

Systemtic Name: 4-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-3-yl-quinazoline Openeye Name: 4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(3-thienyl)quinazoline CAS Name: 4-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-(3-thiophenyl)quinazoline IUPAC Name: 4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-3-ylquinazoline Traditional Name: 4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-2-(3-thienyl)quinazoline Formula: C22H17N5S2 MolecularWeight: 415.53388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SC3=NC(=NC4=CC=CC=C43)C5=CSC=C5

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SC3=NC(=NC4=CC=CC=C43)C5=CSC=C5

InChI

InChI=1S/C22H17N5S2/c1-15-25-26-22(27(15)13-16-7-3-2-4-8-16)29-21-18-9-5-6-10-19(18)23-20(24-21)17-11-12-28-14-17/h2-12,14H,13H2,1H3