5-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,3-benzothiazol-2-ylthio)-N-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-(1,3-benzothiazol-2-ylthio)-1,3,4-thiadiazol-2-yl]-(4-chlorobenzyl)amine Formula: C16H11ClN4S3 MolecularWeight: 390.93334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=NN=C(S3)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=NN=C(S3)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H11ClN4S3/c17-11-7-5-10(6-8-11)9-18-14-20-21-16(23-14)24-15-19-12-3-1-2-4-13(12)22-15/h1-8H,9H2,(H,18,20)