3-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C16H11BrN4S2 MolecularWeight: 403.31934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(S2)NC3=CC(=CC=C3)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(S2)NC3=CC(=CC=C3)Br)C#N

InChI

InChI=1S/C16H11BrN4S2/c17-13-5-2-6-14(8-13)19-15-20-21-16(23-15)22-10-12-4-1-3-11(7-12)9-18/h1-8H,10H2,(H,19,20)