3-(naphthalen-1-ylmethylsulfanyl)-4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-(naphthalen-1-ylmethylsulfanyl)-4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(1-naphthylmethylsulfanyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 3-(1-naphthalenylmethylthio)-4-(phenylmethyl)-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(naphthalen-1-ylmethylsulfanyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(1-naphthylmethylthio)-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C25H26N4S MolecularWeight: 414.56574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H26N4S/c1-2-9-20(10-3-1)17-29-24(18-28-15-6-7-16-28)26-27-25(29)30-19-22-13-8-12-21-11-4-5-14-23(21)22/h1-5,8-14H,6-7,15-19H2