4-[[5-(2-azanylethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(2-azanylethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(2-aminoethyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(2-aminoethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(2-aminoethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(2-aminoethyl)-4-isobutyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C16H21N5S MolecularWeight: 315.43644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CCN

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CCN

InChI

InChI=1S/C16H21N5S/c1-12(2)10-21-15(7-8-17)19-20-16(21)22-11-14-5-3-13(9-18)4-6-14/h3-6,12H,7-8,10-11,17H2,1-2H3