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5-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-3-(phenylmethyl)-1,2,4-thiadiazole

5-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-3-(phenylmethyl)-1,2,4-thiadiazole

Systemtic Name:5-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-3-(phenylmethyl)-1,2,4-thiadiazole
Openeye Name:3-benzyl-5-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CAS Name:5-[4-(2-naphthalenylsulfonyl)-1,4-diazepan-1-yl]-3-(phenylmethyl)-1,2,4-thiadiazole
IUPAC Name:3-benzyl-5-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole
Traditional Name:3-benzyl-5-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
Formula: C24H24N4O2S2
MolecularWeight: 464.60296
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=NC(=NS4)CC5=CC=CC=C5


Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=NC(=NS4)CC5=CC=CC=C5


InChI

InChI=1S/C24H24N4O2S2/c29-32(30,22-12-11-20-9-4-5-10-21(20)18-22)28-14-6-13-27(15-16-28)24-25-23(26-31-24)17-19-7-2-1-3-8-19/h1-5,7-12,18H,6,13-17H2


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