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

Systemtic Name: 1-[5-[(3-methylphenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[4-benzyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(3-methylphenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[4-benzyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[4-benzyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]butylamine Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=CC(=C3)C)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=CC(=C3)C)N

InChI

InChI=1S/C21H26N4S/c1-3-8-19(22)20-23-24-21(25(20)14-17-10-5-4-6-11-17)26-15-18-12-7-9-16(2)13-18/h4-7,9-13,19H,3,8,14-15,22H2,1-2H3