N-(2-chloranyl-4-methyl-phenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-4-methylphenyl)-4-(5-cyano-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-4-methylphenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide Formula: C18H18ClN5S MolecularWeight: 371.88702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H18ClN5S/c1-13-2-4-16(15(19)10-13)22-18(25)24-8-6-23(7-9-24)17-5-3-14(11-20)12-21-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)