4-azanyl-2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[4-(4-chlorophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[4-(4-chlorophenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]pyrimidine-5-carbonitrile Formula: C17H10ClN7S2 MolecularWeight: 411.8912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C17H10ClN7S2/c18-11-3-5-12(6-4-11)25-15(13-2-1-7-26-13)23-24-17(25)27-16-21-9-10(8-19)14(20)22-16/h1-7,9H,(H2,20,21,22)