4-azanyl-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)methyl]-5-propyl-1,2,4-triazol-3-one

Systemtic Name: 4-azanyl-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)methyl]-5-propyl-1,2,4-triazol-3-one Openeye Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-propyl-1,2,4-triazol-3-one CAS Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-propyl-1,2,4-triazol-3-one IUPAC Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-propyl-1,2,4-triazol-3-one Traditional Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-propyl-1,2,4-triazol-3-one Formula: C14H17N7OS MolecularWeight: 331.39608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)N1N)CC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

CCCC1=NN(C(=O)N1N)CC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C14H17N7OS/c1-2-6-11-19-20(14(22)21(11)15)9-12-17-18-13(23-12)16-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9,15H2,1H3,(H,16,18)