1-[4-(phenylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]butan-1-amine

Systemtic Name: 1-[4-(phenylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-(5-allylsulfanyl-4-benzyl-1,2,4-triazol-3-yl)butan-1-amine CAS Name: 1-[4-(phenylmethyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-(4-benzyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)butan-1-amine Traditional Name: 1-[5-(allylthio)-4-benzyl-1,2,4-triazol-3-yl]butylamine Formula: C16H22N4S MolecularWeight: 302.43768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2=CC=CC=C2)SCC=C)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2=CC=CC=C2)SCC=C)N

InChI

InChI=1S/C16H22N4S/c1-3-8-14(17)15-18-19-16(21-11-4-2)20(15)12-13-9-6-5-7-10-13/h4-7,9-10,14H,2-3,8,11-12,17H2,1H3