2-[4-[(6-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(6-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazino]isonicotinonitrile Formula: C18H16ClN5OS MolecularWeight: 385.87054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=C(C=C3)Cl)OC2=S)C4=NC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=C(C=C3)Cl)OC2=S)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C18H16ClN5OS/c19-14-1-2-15-16(10-14)25-18(26)24(15)12-22-5-7-23(8-6-22)17-9-13(11-20)3-4-21-17/h1-4,9-10H,5-8,12H2