N-(2-chloranyl-4-methyl-phenyl)-4-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-4-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)piperidine-1-carbothioamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-4-[5-(2-thienyl)tetrazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(2-chloro-4-methylphenyl)-4-(5-thiophen-2-yl-2-tetrazolyl)-1-piperidinecarbothioamide IUPAC Name: N-(2-chloro-4-methylphenyl)-4-(5-thiophen-2-yltetrazol-2-yl)piperidine-1-carbothioamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-4-[5-(2-thienyl)tetrazol-2-yl]piperidine-1-carbothioamide Formula: C18H19ClN6S2 MolecularWeight: 418.96666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)N3N=C(N=N3)C4=CC=CS4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)N3N=C(N=N3)C4=CC=CS4)Cl

InChI

InChI=1S/C18H19ClN6S2/c1-12-4-5-15(14(19)11-12)20-18(26)24-8-6-13(7-9-24)25-22-17(21-23-25)16-3-2-10-27-16/h2-5,10-11,13H,6-9H2,1H3,(H,20,26)