N-(4-cyanophenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-cyanophenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-cyanophenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-cyanophenyl)-4-(2-pyrazinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-cyanophenyl)-4-pyrazin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-cyanophenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide Formula: C16H16N6S MolecularWeight: 324.40344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)C(=S)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)C(=S)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H16N6S/c17-11-13-1-3-14(4-2-13)20-16(23)22-9-7-21(8-10-22)15-12-18-5-6-19-15/h1-6,12H,7-10H2,(H,20,23)