S-[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl] 3-pyrrolidin-1-ylsulfonylbenzenecarbothioate

Systemtic Name: S-[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl] 3-pyrrolidin-1-ylsulfonylbenzenecarbothioate Openeye Name: S-[5-(benzylamino)-1,3,4-thiadiazol-2-yl] 3-pyrrolidin-1-ylsulfonylbenzenecarbothioate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzenecarbothioic acid S-[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl] ester IUPAC Name: S-[5-(benzylamino)-1,3,4-thiadiazol-2-yl] 3-pyrrolidin-1-ylsulfonylbenzenecarbothioate Traditional Name: 3-pyrrolidinosulfonylthiobenzoic acid S-[5-(benzylamino)-1,3,4-thiadiazol-2-yl] ester Formula: C20H20N4O3S3 MolecularWeight: 460.5928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)SC3=NN=C(S3)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)SC3=NN=C(S3)NCC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3S3/c25-18(16-9-6-10-17(13-16)30(26,27)24-11-4-5-12-24)28-20-23-22-19(29-20)21-14-15-7-2-1-3-8-15/h1-3,6-10,13H,4-5,11-12,14H2,(H,21,22)