2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H27N5S MolecularWeight: 357.51618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=CC=CC=C2C#N)C(CC)N(C)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=CC=CC=C2C#N)C(CC)N(C)C

InChI

InChI=1S/C19H27N5S/c1-5-7-12-24-18(17(6-2)23(3)4)21-22-19(24)25-14-16-11-9-8-10-15(16)13-20/h8-11,17H,5-7,12,14H2,1-4H3