6-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-methyl-2-phenyl-5-pyrrol-1-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 6-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-methyl-2-phenyl-5-pyrrol-1-yl-thieno[2,3-d]pyrimidine Openeye Name: 6-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-methyl-2-phenyl-5-pyrrol-1-yl-thieno[2,3-d]pyrimidine CAS Name: 6-[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-phenyl-5-(1-pyrrolyl)thieno[2,3-d]pyrimidine IUPAC Name: 6-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-methyl-2-phenyl-5-pyrrol-1-ylthieno[2,3-d]pyrimidine Traditional Name: 6-[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-phenyl-5-pyrrol-1-yl-thieno[2,3-d]pyrimidine Formula: C27H22N6S2 MolecularWeight: 494.63378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=CC=C2)C3=C(C4=C(N=C(N=C4S3)C5=CC=CC=C5)C)N6C=CC=C6

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=CC=C2)C3=C(C4=C(N=C(N=C4S3)C5=CC=CC=C5)C)N6C=CC=C6

InChI

InChI=1S/C27H22N6S2/c1-3-34-27-31-30-25(33(27)20-14-8-5-9-15-20)23-22(32-16-10-11-17-32)21-18(2)28-24(29-26(21)35-23)19-12-6-4-7-13-19/h4-17H,3H2,1-2H3