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

Systemtic Name: 4-azanyl-5-(4-methylphenyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-one Openeye Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-(p-tolyl)-1,2,4-triazol-3-one CAS Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-(4-methylphenyl)-1,2,4-triazol-3-one IUPAC Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-(4-methylphenyl)-1,2,4-triazol-3-one Traditional Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-(p-tolyl)-1,2,4-triazol-3-one Formula: C18H17N7OS MolecularWeight: 379.43888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)N2N)CC3=NN=C(S3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)N2N)CC3=NN=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C18H17N7OS/c1-12-7-9-13(10-8-12)16-23-24(18(26)25(16)19)11-15-21-22-17(27-15)20-14-5-3-2-4-6-14/h2-10H,11,19H2,1H3,(H,20,22)