2-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-benzhydrylpiperazin-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzhydrylpiperazin-1-yl)methyl]-4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-benzhydrylpiperazino)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C28H30N6S MolecularWeight: 482.643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C=CCN1C(=NN(C1=S)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C28H30N6S/c1-2-17-33-27(25-13-15-29-16-14-25)30-34(28(33)35)22-31-18-20-32(21-19-31)26(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h2-16,26H,1,17-22H2