[4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C20H20N4OS2/c25-18(24-12-4-5-13-24)16-10-8-15(9-11-16)14-26-20-23-22-19(27-20)21-17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-14H2,(H,21,22)