4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(2-thienyl)butan-1-one Formula: C17H17N3OS3 MolecularWeight: 375.53138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H17N3OS3/c21-14(15-9-5-10-22-15)8-4-11-23-17-20-19-16(24-17)18-12-13-6-2-1-3-7-13/h1-3,5-7,9-10H,4,8,11-12H2,(H,18,19)