4-(4-ethylphenyl)-3-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-ethylphenyl)-3-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole Openeye Name: 4-(4-ethylphenyl)-3-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole CAS Name: 4-(4-ethylphenyl)-3-phenyl-5-(3-phenylpropylthio)-1,2,4-triazole IUPAC Name: 4-(4-ethylphenyl)-3-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole Traditional Name: 4-(4-ethylphenyl)-3-phenyl-5-(3-phenylpropylthio)-1,2,4-triazole Formula: C25H25N3S MolecularWeight: 399.5511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3S/c1-2-20-15-17-23(18-16-20)28-24(22-13-7-4-8-14-22)26-27-25(28)29-19-9-12-21-10-5-3-6-11-21/h3-8,10-11,13-18H,2,9,12,19H2,1H3