2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[[5-(2,4-dichlorophenyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[[5-(2,4-dichlorophenyl)-4-isopropyl-1,2,4-triazol-3-yl]thio]nicotinonitrile Formula: C17H13Cl2N5S MolecularWeight: 390.28962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SC2=C(C=CC=N2)C#N)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)N1C(=NN=C1SC2=C(C=CC=N2)C#N)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H13Cl2N5S/c1-10(2)24-15(13-6-5-12(18)8-14(13)19)22-23-17(24)25-16-11(9-20)4-3-7-21-16/h3-8,10H,1-2H3