2-[4-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-benzyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C24H23N7S2 MolecularWeight: 473.61632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4)C5=NC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C24H23N7S2/c25-16-20-8-9-26-22(15-20)29-12-10-28(11-13-29)18-31-24(32)30(17-19-5-2-1-3-6-19)23(27-31)21-7-4-14-33-21/h1-9,14-15H,10-13,17-18H2