2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C14H11N5S2 MolecularWeight: 313.40064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(N2N)C3=CC=CS3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(N2N)C3=CC=CS3)C#N

InChI

InChI=1S/C14H11N5S2/c15-8-10-4-1-2-5-11(10)9-21-14-18-17-13(19(14)16)12-6-3-7-20-12/h1-7H,9,16H2